 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer05_STD_LCPBE_augccpVDZ.in
 Output=30_ibuprofen_conformer05_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/Gau-20361.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     20362.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Sep-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=48GB
 %chk=30_ibuprofen_conformer05_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 13 11:38:14 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "30_ibuprofen_conformer05_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.709910000000      0.670807000000     -0.967581000000
  C                                                -1.514787000000     -0.421985000000     -0.641507000000
  C                                                 0.592878000000      0.771936000000     -0.502207000000
  C                                                 1.137615000000     -0.225982000000      0.304676000000
  C                                                 0.347678000000     -1.327177000000      0.619024000000
  C                                                -0.957714000000     -1.421755000000      0.154368000000
  C                                                -2.940864000000     -0.508394000000     -1.117499000000
  C                                                -3.987455000000      0.128199000000     -0.171742000000
  C                                                -3.779028000000      1.632708000000     -0.004548000000
  C                                                -4.041131000000     -0.569211000000      1.186803000000
  C                                                 2.555065000000     -0.110902000000      0.841195000000
  C                                                 3.512909000000      0.020089000000     -0.327512000000
  O                                                 3.916643000000      1.053908000000     -0.793769000000
  O                                                 3.856696000000     -1.186888000000     -0.831471000000
  H                                                -1.108539000000      1.453325000000     -1.601421000000
  H                                                 1.197146000000      1.626236000000     -0.780243000000
  H                                                 0.758326000000     -2.121930000000      1.230081000000
  H                                                -1.550996000000     -2.291094000000      0.409882000000
  H                                                -3.207271000000     -1.558295000000     -1.263900000000
  H                                                -3.023252000000     -0.023303000000     -2.093508000000
  H                                                -4.956106000000     -0.021345000000     -0.661200000000
  H                                                -3.767687000000      2.144305000000     -0.969553000000
  H                                                -2.833997000000      1.845956000000      0.498551000000
  H                                                -4.580691000000      2.067606000000      0.595584000000
  H                                                -3.105962000000     -0.437299000000      1.734311000000
  H                                                -4.217867000000     -1.641741000000      1.078812000000
  H                                                -4.845765000000     -0.157244000000      1.799012000000
  H                                                 2.793783000000     -1.046687000000      1.348092000000
  C                                                 2.714984000000      1.060322000000      1.812332000000
  H                                                 4.422318000000     -1.021428000000     -1.602212000000
  H                                                 2.519413000000      2.006373000000      1.310475000000
  H                                                 3.727494000000      1.097018000000      2.216623000000
  H                                                 2.011507000000      0.951447000000      2.637725000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 13 11:38:15 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395832   0.000000
     3  C    1.387104   2.426335   0.000000
     4  C    2.415826   2.822927   1.394145   0.000000
     5  C    2.761838   2.424270   2.392396   1.391203   0.000000
     6  C    2.387256   1.394018   2.765449   2.417203   1.388848
     7  C    2.527874   1.505899   3.808564   4.328548   3.807943
     8  C    3.416151   2.576329   4.637139   5.159337   4.640777
     9  C    3.357405   3.123182   4.483543   5.265333   5.116587
    10  C    4.156447   3.121988   5.111308   5.264538   4.489825
    11  C    3.813503   4.342680   2.536594   1.519954   2.530068
    12  C    4.320338   5.056852   3.020327   2.470270   3.567877
    13  O    4.645640   5.630442   3.348422   3.250799   4.516975
    14  O    4.931881   5.428996   3.820722   3.099608   3.799582
    15  H    1.083048   2.145521   2.137143   3.390942   3.844754
    16  H    2.141215   3.401329   1.082715   2.147395   3.376713
    17  H    3.845103   3.399955   3.376782   2.143561   1.083353
    18  H    3.373083   2.144831   3.848409   3.391811   2.139589
    19  H    3.360582   2.131449   4.522310   4.807653   4.029452
    20  H    2.664780   2.131366   4.030017   4.806785   4.518970
    21  H    4.313134   3.464618   5.607655   6.173186   5.610196
    22  H    3.394289   3.430600   4.595251   5.594990   5.613465
    23  H    2.835889   2.860700   3.728070   4.483773   4.495147
    24  H    4.401986   4.138626   5.445156   6.167998   5.984473
    25  H    3.777457   2.859473   4.488394   4.482907   3.736760
    26  H    4.673475   3.428402   5.609699   5.593286   4.599408
    27  H    5.044304   4.137830   5.978112   6.167544   5.452794
    28  H    4.537399   4.786704   3.402202   2.122538   2.567809
    29  C    4.428266   5.109748   3.153346   2.532923   3.567671
    30  H    5.441156   6.044130   4.369299   3.880494   4.650813
    31  H    4.171547   5.097247   2.919107   2.811478   4.038204
    32  H    5.478263   6.160989   4.162155   3.480423   4.455581
    33  H    4.525826   5.007437   3.450204   2.755566   3.469237
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526808   0.000000
     8  C    3.418777   1.547598   0.000000
     9  C    4.161107   2.554505   1.528052   0.000000
    10  C    3.361579   2.554231   1.528040   2.517233   0.000000
    11  C    3.811782   5.848052   6.624785   6.623911   6.621125
    12  C    4.722033   6.523386   7.502760   7.475105   7.726833
    13  O    5.548624   7.040667   7.982394   7.757656   8.359626
    14  O    4.919917   6.837323   7.980940   8.181577   8.175000
    15  H    3.372184   2.727625   3.476794   3.116680   4.523819
    16  H    3.848008   4.668352   5.430882   5.036274   6.010724
    17  H    2.142941   4.668901   5.436049   6.017408   5.044561
    18  H    1.083061   2.728121   3.482470   4.531236   3.125581
    19  H    2.662824   1.093022   2.155402   3.477840   2.771201
    20  H    3.357836   1.093021   2.155418   2.770798   3.477720
    21  H    4.314329   2.122881   1.095544   2.133681   2.133647
    22  H    4.677171   2.782505   2.179331   1.092289   3.476753
    23  H    3.783759   2.857622   2.174959   1.091635   2.786377
    24  H    5.049384   3.501351   2.168414   1.091768   2.755625
    25  H    2.842594   2.857470   2.174823   2.785961   1.091653
    26  H    3.395819   2.781905   2.179372   3.476818   1.092345
    27  H    4.406902   3.501141   2.168420   2.755846   1.091766
    28  H    3.954666   6.265387   7.048081   7.225693   6.853470
    29  C    4.732680   6.559984   7.051815   6.767634   6.977948
    30  H    5.673674   7.396932   8.607681   8.766929   8.922616
    31  H    5.017874   6.483343   6.932809   6.445097   7.049090
    32  H    5.705111   7.626317   8.134085   7.846556   8.011765
    33  H    4.540421   6.384264   6.675207   6.401251   6.407184
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516740   0.000000
    13  O    2.425651   1.203818   0.000000
    14  O    2.376931   1.352390   2.241915   0.000000
    15  H    4.672812   5.003478   5.105320   5.676011   0.000000
    16  H    2.736906   2.854371   2.779102   3.871627   2.453653
    17  H    2.724654   3.821265   4.914965   3.837212   4.927985
    18  H    4.668940   5.615020   6.521724   5.657151   4.273381
    19  H    6.303244   6.966271   7.602288   7.086929   3.686252
    20  H    6.303791   6.770674   7.142258   7.090864   2.467530
    21  H    7.660477   8.475688   8.938647   8.891173   4.226398
    22  H    6.952838   7.611280   7.763298   8.321486   2.819180
    23  H    5.743578   6.655778   6.918712   7.465419   2.746133
    24  H    7.464934   8.399452   8.669635   9.155202   4.154517
    25  H    5.740333   6.947645   7.611299   7.458132   4.323340
    26  H    6.947844   8.031458   8.771735   8.309912   5.141109
    27  H    7.462697   8.626760   9.217874   9.149450   5.303182
    28  H    1.090699   2.112534   3.203261   2.428978   5.493433
    29  C    1.529852   2.509522   2.869806   3.652828   5.140767
    30  H    3.207168   1.880596   2.283924   0.970230   6.059272
    31  H    2.168951   2.759594   2.699497   4.071016   4.684766
    32  H    2.173813   2.771001   3.016637   3.811010   6.171842
    33  H    2.156748   3.451705   3.926219   4.473536   5.287431
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.275829   0.000000
    18  H    4.930939   2.456483   0.000000
    19  H    5.456560   4.718430   2.466128   0.000000
    20  H    4.717775   5.454430   3.684749   1.754512   0.000000
    21  H    6.371123   6.375275   4.230101   2.404971   2.405709
    22  H    4.995378   6.597268   5.146778   3.756322   2.552642
    23  H    4.234821   5.402225   4.332336   3.851557   3.201362
    24  H    5.955763   6.816150   5.311478   4.300130   3.745495
    25  H    5.394247   4.245580   2.758367   3.202525   3.851030
    26  H    6.592278   5.001596   2.825124   2.552757   3.756336
    27  H    6.808093   5.965694   4.163953   3.745536   4.300140
    28  H    3.771416   2.305029   4.615831   6.564822   6.835921
    29  C    3.057047   3.780774   5.603342   7.168923   7.025467
    30  H    4.252939   4.760024   6.429701   7.655933   7.528223
    31  H    2.502798   4.488962   5.987280   7.220054   6.813796
    32  H    3.957769   4.488970   6.527333   8.200957   8.087331
    33  H    3.577853   3.605214   5.307427   6.982630   6.977356
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.489470   0.000000
    23  H    3.055353   1.765253   0.000000
    24  H    2.466609   1.765365   1.763373   0.000000
    25  H    3.055245   3.796504   2.610425   3.121870   0.000000
    26  H    2.489643   4.328118   3.796818   3.758245   1.765416
    27  H    2.466432   3.758235   3.122694   2.543317   1.763386
    28  H    8.071515   7.655508   6.384435   8.040395   5.943695
    29  C    8.132280   7.137151   5.756252   7.464715   6.011021
    30  H    9.478423   8.803312   8.080173   9.768654   8.255216
    31  H    7.992655   6.689184   5.417006   7.136266   6.147846
    32  H    9.216155   8.211350   6.823917   8.520314   7.020176
    33  H    7.770255   6.916245   5.371696   6.990939   5.378965
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765411   0.000000
    28  H    7.042005   7.704358   0.000000
    29  C    7.476872   7.658170   2.158985   0.000000
    30  H    9.067826   9.910222   3.370023   4.348308   0.000000
    31  H    7.665073   7.691928   3.065594   1.088633   4.612198
    32  H    8.480812   8.674580   2.494320   1.090859   4.422001
    33  H    6.925311   6.996772   2.503527   1.089957   5.261303
                   31         32         33
    31  H    0.000000
    32  H    1.762808   0.000000
    33  H    1.769867   1.772887   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.07D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4017426           0.2678143           0.2638389
 Leave Link  202 at Mon Sep 13 11:38:15 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       981.3510194734 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 13 11:38:18 2021, MaxMem=  6442450944 cpu:              17.7 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.81D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 13 11:38:19 2021, MaxMem=  6442450944 cpu:              11.8 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 13 11:38:20 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer05_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 13 11:38:22 2021, MaxMem=  6442450944 cpu:              11.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -654.794780945583    
 DIIS: error= 3.09D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -654.794780945583     IErMin= 1 ErrMin= 3.09D-03
 ErrMax= 3.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-02 BMatP= 1.56D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.09D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.354 Goal=   None    Shift=    0.000
 GapD=    0.354 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.23D-02 MaxDP=4.66D+00              OVMax= 1.68D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.13D-02    CP:  1.62D+00
 E= -654.808798064040     Delta-E=       -0.014017118457 Rises=F Damp=F
 DIIS: error= 1.32D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -654.808798064040     IErMin= 2 ErrMin= 1.32D-03
 ErrMax= 1.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-03 BMatP= 1.56D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.32D-02
 Coeff-Com:  0.154D+00 0.846D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.152D+00 0.848D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=6.19D-03 MaxDP=6.70D-01 DE=-1.40D-02 OVMax= 1.31D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.32D-03    CP:  1.71D+00  1.14D+00
 E= -654.808981884340     Delta-E=       -0.000183820300 Rises=F Damp=F
 DIIS: error= 1.39D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -654.808981884340     IErMin= 2 ErrMin= 1.32D-03
 ErrMax= 1.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-03 BMatP= 2.36D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.39D-02
 Coeff-Com: -0.262D-01 0.503D+00 0.523D+00
 Coeff-En:   0.000D+00 0.474D+00 0.526D+00
 Coeff:     -0.258D-01 0.503D+00 0.523D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.76D-03 MaxDP=1.77D-01 DE=-1.84D-04 OVMax= 7.57D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.33D-04    CP:  1.74D+00  1.18D+00  1.15D+00
 E= -654.810566323704     Delta-E=       -0.001584439364 Rises=F Damp=F
 DIIS: error= 1.80D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -654.810566323704     IErMin= 4 ErrMin= 1.80D-04
 ErrMax= 1.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.93D-05 BMatP= 2.29D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.80D-03
 Coeff-Com: -0.152D-01 0.181D+00 0.227D+00 0.608D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.151D-01 0.180D+00 0.226D+00 0.608D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.83D-04 MaxDP=2.84D-02 DE=-1.58D-03 OVMax= 2.58D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.42D-05    CP:  1.75D+00  1.18D+00  1.20D+00  1.03D+00
 E= -654.810596850246     Delta-E=       -0.000030526542 Rises=F Damp=F
 DIIS: error= 1.01D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -654.810596850246     IErMin= 5 ErrMin= 1.01D-04
 ErrMax= 1.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-05 BMatP= 4.93D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.01D-03
 Coeff-Com: -0.183D-02-0.251D-01 0.356D-03 0.356D+00 0.670D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.170D+00 0.830D+00
 Coeff:     -0.183D-02-0.250D-01 0.355D-03 0.356D+00 0.670D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.75D-04 MaxDP=1.83D-02 DE=-3.05D-05 OVMax= 7.63D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.91D-05    CP:  1.75D+00  1.19D+00  1.24D+00  1.10D+00  1.35D+00
 E= -654.810607038320     Delta-E=       -0.000010188073 Rises=F Damp=F
 DIIS: error= 1.44D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -654.810607038320     IErMin= 6 ErrMin= 1.44D-05
 ErrMax= 1.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.33D-07 BMatP= 1.34D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.346D-03-0.236D-01-0.159D-01 0.105D+00 0.273D+00 0.661D+00
 Coeff:      0.346D-03-0.236D-01-0.159D-01 0.105D+00 0.273D+00 0.661D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.28D-05 MaxDP=2.63D-03 DE=-1.02D-05 OVMax= 1.73D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.08D-05    CP:  1.75D+00  1.19D+00  1.25D+00  1.11D+00  1.37D+00
                    CP:  1.19D+00
 E= -654.810607538527     Delta-E=       -0.000000500207 Rises=F Damp=F
 DIIS: error= 3.99D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -654.810607538527     IErMin= 7 ErrMin= 3.99D-06
 ErrMax= 3.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-08 BMatP= 5.33D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.339D-03-0.543D-02-0.529D-02-0.591D-04 0.231D-01 0.228D+00
 Coeff-Com:  0.760D+00
 Coeff:      0.339D-03-0.543D-02-0.529D-02-0.591D-04 0.231D-01 0.228D+00
 Coeff:      0.760D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=8.97D-06 MaxDP=7.02D-04 DE=-5.00D-07 OVMax= 6.92D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.35D-06    CP:  1.75D+00  1.19D+00  1.25D+00  1.12D+00  1.43D+00
                    CP:  1.25D+00  1.11D+00
 E= -654.810607585290     Delta-E=       -0.000000046763 Rises=F Damp=F
 DIIS: error= 1.59D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -654.810607585290     IErMin= 8 ErrMin= 1.59D-06
 ErrMax= 1.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.20D-09 BMatP= 3.90D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.983D-04-0.274D-03-0.770D-03-0.774D-02-0.124D-01 0.329D-01
 Coeff-Com:  0.284D+00 0.704D+00
 Coeff:      0.983D-04-0.274D-03-0.770D-03-0.774D-02-0.124D-01 0.329D-01
 Coeff:      0.284D+00 0.704D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=3.26D-06 MaxDP=3.95D-04 DE=-4.68D-08 OVMax= 3.36D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.65D-06    CP:  1.75D+00  1.19D+00  1.25D+00  1.12D+00  1.43D+00
                    CP:  1.28D+00  1.13D+00  1.10D+00
 E= -654.810607590284     Delta-E=       -0.000000004994 Rises=F Damp=F
 DIIS: error= 7.94D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -654.810607590284     IErMin= 9 ErrMin= 7.94D-07
 ErrMax= 7.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.44D-10 BMatP= 4.20D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-04 0.819D-03 0.561D-03-0.390D-02-0.107D-01-0.246D-01
 Coeff-Com:  0.769D-02 0.345D+00 0.685D+00
 Coeff:     -0.131D-04 0.819D-03 0.561D-03-0.390D-02-0.107D-01-0.246D-01
 Coeff:      0.769D-02 0.345D+00 0.685D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.34D-06 MaxDP=1.03D-04 DE=-4.99D-09 OVMax= 1.32D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.63D-07    CP:  1.75D+00  1.19D+00  1.25D+00  1.12D+00  1.44D+00
                    CP:  1.29D+00  1.16D+00  1.17D+00  1.01D+00
 E= -654.810607591631     Delta-E=       -0.000000001347 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -654.810607591631     IErMin=10 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-11 BMatP= 9.44D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-04 0.248D-03 0.222D-03-0.397D-03-0.194D-02-0.919D-02
 Coeff-Com: -0.214D-01 0.317D-01 0.183D+00 0.818D+00
 Coeff:     -0.120D-04 0.248D-03 0.222D-03-0.397D-03-0.194D-02-0.919D-02
 Coeff:     -0.214D-01 0.317D-01 0.183D+00 0.818D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.32D-07 MaxDP=1.15D-05 DE=-1.35D-09 OVMax= 4.69D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.50D-07    CP:  1.75D+00  1.19D+00  1.25D+00  1.12D+00  1.44D+00
                    CP:  1.29D+00  1.16D+00  1.19D+00  1.07D+00  1.11D+00
 E= -654.810607591513     Delta-E=        0.000000000118 Rises=F Damp=F
 DIIS: error= 5.32D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -654.810607591631     IErMin=11 ErrMin= 5.32D-08
 ErrMax= 5.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.00D-12 BMatP= 3.92D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.248D-05-0.281D-04 0.114D-05 0.446D-03 0.906D-03 0.317D-03
 Coeff-Com: -0.920D-02-0.410D-01-0.338D-01 0.316D+00 0.767D+00
 Coeff:     -0.248D-05-0.281D-04 0.114D-05 0.446D-03 0.906D-03 0.317D-03
 Coeff:     -0.920D-02-0.410D-01-0.338D-01 0.316D+00 0.767D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=9.31D-08 MaxDP=6.40D-06 DE= 1.18D-10 OVMax= 1.95D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.85D-08    CP:  1.75D+00  1.19D+00  1.25D+00  1.12D+00  1.44D+00
                    CP:  1.29D+00  1.16D+00  1.19D+00  1.08D+00  1.15D+00
                    CP:  1.05D+00
 E= -654.810607591690     Delta-E=       -0.000000000177 Rises=F Damp=F
 DIIS: error= 1.28D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -654.810607591690     IErMin=12 ErrMin= 1.28D-08
 ErrMax= 1.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-13 BMatP= 8.00D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.314D-06-0.324D-04-0.206D-04 0.175D-03 0.473D-03 0.923D-03
 Coeff-Com: -0.864D-03-0.156D-01-0.268D-01 0.219D-01 0.231D+00 0.789D+00
 Coeff:      0.314D-06-0.324D-04-0.206D-04 0.175D-03 0.473D-03 0.923D-03
 Coeff:     -0.864D-03-0.156D-01-0.268D-01 0.219D-01 0.231D+00 0.789D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=3.50D-08 MaxDP=3.45D-06 DE=-1.77D-10 OVMax= 5.58D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.01D-08    CP:  1.75D+00  1.19D+00  1.25D+00  1.12D+00  1.44D+00
                    CP:  1.29D+00  1.16D+00  1.19D+00  1.08D+00  1.15D+00
                    CP:  1.07D+00  9.65D-01
 E= -654.810607591800     Delta-E=       -0.000000000110 Rises=F Damp=F
 DIIS: error= 6.34D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -654.810607591800     IErMin=13 ErrMin= 6.34D-09
 ErrMax= 6.34D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.69D-14 BMatP= 5.50D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.396D-06-0.104D-04-0.865D-05 0.247D-04 0.993D-04 0.324D-03
 Coeff-Com:  0.604D-03-0.192D-02-0.704D-02-0.247D-01 0.919D-02 0.312D+00
 Coeff-Com:  0.712D+00
 Coeff:      0.396D-06-0.104D-04-0.865D-05 0.247D-04 0.993D-04 0.324D-03
 Coeff:      0.604D-03-0.192D-02-0.704D-02-0.247D-01 0.919D-02 0.312D+00
 Coeff:      0.712D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.19D-08 MaxDP=5.12D-07 DE=-1.10D-10 OVMax= 1.80D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.27D-09    CP:  1.75D+00  1.19D+00  1.25D+00  1.12D+00  1.44D+00
                    CP:  1.29D+00  1.16D+00  1.19D+00  1.08D+00  1.15D+00
                    CP:  1.07D+00  1.04D+00  9.51D-01
 E= -654.810607591742     Delta-E=        0.000000000059 Rises=F Damp=F
 DIIS: error= 2.22D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -654.810607591800     IErMin=14 ErrMin= 2.22D-09
 ErrMax= 2.22D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-14 BMatP= 9.69D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.114D-06 0.888D-06-0.282D-06-0.166D-04-0.330D-04-0.165D-04
 Coeff-Com:  0.364D-03 0.165D-02 0.143D-02-0.129D-01-0.324D-01-0.295D-02
 Coeff-Com:  0.274D+00 0.771D+00
 Coeff:      0.114D-06 0.888D-06-0.282D-06-0.166D-04-0.330D-04-0.165D-04
 Coeff:      0.364D-03 0.165D-02 0.143D-02-0.129D-01-0.324D-01-0.295D-02
 Coeff:      0.274D+00 0.771D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=4.46D-09 MaxDP=3.94D-07 DE= 5.89D-11 OVMax= 7.92D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -654.810607592     A.U. after   14 cycles
            NFock= 14  Conv=0.45D-08     -V/T= 2.0047
 KE= 6.517166342384D+02 PE=-3.488608902166D+03 EE= 1.200730640862D+03
 Leave Link  502 at Mon Sep 13 12:05:22 2021, MaxMem=  6442450944 cpu:           12955.1 elap:            1619.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.11706315D+03

 Leave Link  801 at Mon Sep 13 12:05:23 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10234 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 2.96D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.49D-01 6.47D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 6.71D-02 6.45D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 8.23D-03 1.92D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 1.25D-03 4.90D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.92D-04 1.94D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 1.77D-05 7.25D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 9.32D-07 1.56D-04.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 4.28D-08 3.29D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 1.94D-09 7.61D-06.
     11 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 6.87D-11 1.43D-06.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 2.52D-12 2.40D-07.
      3 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 1.12D-13 2.81D-08.
      1 vectors produced by pass 13 Test12= 4.20D-13 8.33D-09 XBig12= 2.98D-14 1.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   133 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.219538D+03
      2  0.587940D+01  0.157783D+03
      3  0.728716D+01 -0.840975D+01  0.142856D+03
 Isotropic polarizability for W=    0.088559      173.39 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.196002D+03  0.193142D+02 -0.475481D+02
      2   0.846317D+02 -0.209831D+02 -0.140063D+01
      3   0.111370D+03  0.166892D+01  0.489487D+02
      4   0.290344D+02 -0.110402D+03  0.306229D+02
      5   0.134228D+02  0.334434D+02 -0.959561D+02
      6   0.741727D+01  0.243263D+02  0.276424D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.764495D+01  0.439741D+01 -0.117694D+01
      2  -0.119438D+02  0.108831D+02 -0.504712D+02
      3  -0.351342D+02  0.508391D+02 -0.196804D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.282047D+01  0.257269D+02 -0.259735D+02
      2  -0.609709D+02  0.232056D+02 -0.207327D+03
      3   0.972019D+01  0.195033D+03 -0.260261D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.369356D+01 -0.251889D+01  0.704612D+01
      2  -0.251889D+01 -0.216317D+00 -0.162861D+01
      3   0.704612D+01 -0.162861D+01  0.275748D+01
 OR G Eigenvalues:    -8.4163    -0.9159     8.1798  Iso=     0.3841
 Eigenvectors:
   (1)   0.845439   0.158404  -0.510040
   (2)   0.034782   0.936645   0.348549
   (3)   0.532938  -0.312417   0.786367
 w=    0.088559 a.u., Optical Rotation Beta=      0.3841 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       94.43 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 4.35D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.36D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 2.75D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.45D-02 2.22D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.04D-03 5.64D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 5.68D-05 8.91D-04.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.62D-06 2.24D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 3.02D-08 2.55D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 5.35D-10 2.38D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 8.44D-12 2.28D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 9.36D-14 2.59D-08.
     14 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 9.30D-15 8.14D-09.
      5 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 9.08D-15 6.21D-09.
      5 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 6.09D-14 2.19D-08.
      2 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 2.99D-14 1.01D-08.
      1 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 2.16D-15 2.99D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   297 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.66D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.66D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.38D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.219538D+03  0.587940D+01  0.728716D+01
      2   0.587940D+01  0.157783D+03 -0.840975D+01
      3   0.728716D+01 -0.840975D+01  0.142856D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.764495D+01  0.439741D+01 -0.117694D+01
      2  -0.119438D+02  0.108831D+02 -0.504712D+02
      3  -0.351342D+02  0.508391D+02 -0.196804D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.196002D+03  0.193142D+02 -0.475481D+02
      2   0.846317D+02 -0.209831D+02 -0.140063D+01
      3   0.111370D+03  0.166892D+01  0.489487D+02
      4   0.290344D+02 -0.110402D+03  0.306229D+02
      5   0.134228D+02  0.334434D+02 -0.959561D+02
      6   0.741727D+01  0.243263D+02  0.276424D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.893850D+01  0.142395D+01  0.240428D+01  0.120318D+02 -0.313868D+00
      2   0.142395D+01 -0.193749D+01 -0.116416D+00 -0.313868D+00  0.217918D+01
      3   0.240428D+01 -0.116416D+00  0.512045D+00  0.125005D+01  0.965730D+00
                 6             7             8             9            10 
      1   0.125005D+01 -0.630860D+00 -0.192523D+01  0.969671D-01 -0.305489D+02
      2   0.965730D+00 -0.192523D+01  0.100011D+01  0.625769D+00 -0.854225D-02
      3  -0.708331D+00  0.969671D-01  0.625769D+00 -0.394429D+01 -0.378210D+01
                11            12            13            14            15 
      1  -0.854225D-02 -0.378210D+01  0.228072D+00 -0.152898D+01 -0.172447D+01
      2  -0.261150D+01  0.864282D+00 -0.152898D+01 -0.162722D+01 -0.391087D+00
      3   0.864282D+00 -0.187071D+01 -0.172447D+01 -0.391087D+00 -0.111871D+01
                16            17            18            19            20 
      1  -0.784136D+01 -0.167162D+01 -0.437427D+01 -0.660936D+01 -0.548319D+00
      2  -0.167162D+01 -0.977797D+00 -0.528754D+00 -0.548319D+00  0.846672D+00
      3  -0.437427D+01 -0.528754D+00 -0.313739D+01 -0.266943D+01 -0.131618D+01
                21            22            23            24            25 
      1  -0.266943D+01  0.966045D+01  0.458399D+00  0.283118D+01 -0.960831D+01
      2  -0.131618D+01  0.458399D+00  0.277565D+01  0.112825D+01 -0.843144D+00
      3   0.223713D+01  0.283118D+01  0.112825D+01  0.747334D+00 -0.639179D+00
                26            27            28            29            30 
      1  -0.843144D+00 -0.639179D+00  0.268699D+02  0.172469D+01  0.503479D+01
      2   0.192869D+01  0.911097D+00  0.172469D+01  0.230488D+01 -0.171434D+00
      3   0.911097D+00 -0.190157D+01  0.503479D+01 -0.171434D+00  0.266135D+01
                31            32            33            34            35 
      1   0.122750D+01  0.123795D+01  0.182929D+01  0.488136D+01  0.217597D+01
      2   0.123795D+01 -0.497045D+00  0.797317D+00  0.217597D+01  0.199829D+01
      3   0.182929D+01  0.797317D+00  0.200190D+01  0.548267D+01  0.672723D+00
                36            37            38            39            40 
      1   0.548267D+01 -0.105197D+02 -0.133649D+01 -0.308239D+01 -0.132410D+02
      2   0.672723D+00 -0.133649D+01  0.349121D+01  0.893633D-01 -0.991895D+00
      3   0.236341D+01 -0.308239D+01  0.893633D-01 -0.659176D+00 -0.116293D+01
                41            42            43            44            45 
      1  -0.991895D+00 -0.116293D+01  0.372716D+00  0.194572D+01  0.354382D+00
      2  -0.166428D+01 -0.148263D+01  0.194572D+01 -0.985069D+00 -0.928342D+00
      3  -0.148263D+01  0.101350D+00  0.354382D+00 -0.928342D+00  0.412832D+01
                46            47            48            49            50 
      1   0.802001D+01  0.521878D+00  0.277865D+01 -0.841143D+01  0.973270D+00
      2   0.521878D+00 -0.167147D+01  0.148640D+01  0.973270D+00 -0.209558D+01
      3   0.277865D+01  0.148640D+01 -0.188075D+01 -0.266256D+01 -0.116828D+01
                51            52            53            54            55 
      1  -0.266256D+01  0.113872D+02  0.360801D+00 -0.142032D+00  0.180569D+02
      2  -0.116828D+01  0.360801D+00 -0.336557D+01 -0.130606D+01 -0.150434D+01
      3  -0.100779D+01 -0.142032D+00 -0.130606D+01  0.149056D+01 -0.679752D+00
                56            57            58            59            60 
      1  -0.150434D+01 -0.679752D+00 -0.409351D+01  0.352255D+01  0.123143D+01
      2   0.202914D+01  0.857768D+00  0.352255D+01  0.503645D+01  0.228065D+01
      3   0.857768D+00  0.149651D+01  0.123143D+01  0.228065D+01 -0.273410D+01
                61            62            63            64            65 
      1  -0.437517D+01  0.144738D+01  0.338823D+01 -0.151584D+01  0.296683D+01
      2   0.144738D+01  0.978435D+00 -0.213075D+01  0.296683D+01 -0.116162D+01
      3   0.338823D+01 -0.213075D+01  0.493454D+01  0.545487D+01 -0.716151D+00
                66            67            68            69            70 
      1   0.545487D+01  0.779269D+01 -0.123509D+01 -0.904954D+00  0.138898D+02
      2  -0.716151D+00 -0.123509D+01 -0.461207D+01 -0.698632D+00 -0.169940D+01
      3   0.439674D+00 -0.904954D+00 -0.698632D+00  0.333118D+01  0.643999D+00
                71            72            73            74            75 
      1  -0.169940D+01  0.643999D+00  0.263440D+00 -0.317079D+01 -0.469114D+01
      2  -0.102893D+01  0.348790D+01 -0.317079D+01  0.173147D+01  0.126134D+01
      3   0.348790D+01 -0.138646D+01 -0.469114D+01  0.126134D+01  0.204563D+00
                76            77            78            79            80 
      1  -0.396394D+01  0.100125D+01  0.875665D+00 -0.650938D+01  0.168133D+01
      2   0.100125D+01  0.244437D+01  0.869138D+00  0.168133D+01  0.129363D+01
      3   0.875665D+00  0.869138D+00 -0.361843D+01  0.796764D+00 -0.456365D+01
                81            82            83            84            85 
      1   0.796764D+00  0.587465D+00 -0.210604D+01 -0.519286D+01 -0.331931D+01
      2  -0.456365D+01 -0.210604D+01  0.135941D+01  0.837312D+00  0.185899D+01
      3   0.274852D+01 -0.519286D+01  0.837312D+00  0.874957D+00  0.181726D+01
                86            87            88            89            90 
      1   0.185899D+01  0.181726D+01 -0.678465D+01  0.149211D+01  0.412393D+00
      2   0.655667D+01  0.137581D+00  0.149211D+01  0.119059D+01 -0.280257D+01
      3   0.137581D+00 -0.292092D+01  0.412393D+00 -0.280257D+01  0.267479D+00
                91            92            93            94            95 
      1  -0.570254D+01  0.715940D+00  0.172266D+00 -0.150894D+01 -0.228468D+01
      2   0.715940D+00 -0.119744D+01 -0.510255D+00 -0.228468D+01  0.197920D+01
      3   0.172266D+00 -0.510255D+00 -0.208986D+01 -0.214581D+01 -0.388399D+01
                96            97            98            99           100 
      1  -0.214581D+01  0.431350D+01 -0.140259D+01 -0.508563D+01 -0.212110D+01
      2  -0.388399D+01 -0.140259D+01 -0.309592D+01 -0.318451D+00 -0.178969D+01
      3  -0.195814D+01 -0.508563D+01 -0.318451D+00 -0.542851D+00 -0.146456D+00
               101           102           103           104           105 
      1  -0.178969D+01 -0.146456D+00 -0.495960D+01 -0.224997D+01  0.298001D+01
      2  -0.132587D+01  0.219250D+00 -0.224997D+01 -0.216976D+01  0.242243D+01
      3   0.219250D+00  0.152414D+01  0.298001D+01  0.242243D+01 -0.219590D+01
               106           107           108           109           110 
      1  -0.746362D+00  0.749044D+00  0.183447D+01  0.516655D+01  0.365805D+01
      2   0.749044D+00  0.246811D+01 -0.410021D+00  0.365805D+01  0.240933D+01
      3   0.183447D+01 -0.410021D+00 -0.189516D+01 -0.153556D+01 -0.347267D+00
               111           112           113           114           115 
      1  -0.153556D+01  0.932897D+01  0.389011D+01 -0.221500D+01 -0.373333D+01
      2  -0.347267D+00  0.389011D+01  0.792037D+01 -0.164102D+01 -0.990179D+00
      3   0.570419D+00 -0.221500D+01 -0.164102D+01  0.355201D+01  0.177556D+01
               116           117           118           119           120 
      1  -0.990179D+00  0.177556D+01 -0.111306D+01 -0.113197D+01  0.231016D+01
      2  -0.237191D+01  0.217210D+01 -0.113197D+01  0.294646D-01 -0.739172D+00
      3   0.217210D+01 -0.224442D+01  0.231016D+01 -0.739172D+00 -0.316530D+01
               121           122           123           124           125 
      1  -0.459204D+01  0.230659D+01  0.137680D+00  0.344752D+01 -0.104449D+01
      2   0.230659D+01 -0.523351D+01 -0.169353D+01 -0.104449D+01  0.205743D+00
      3   0.137680D+00 -0.169353D+01 -0.962163D+00 -0.334268D+01 -0.440956D+00
               126           127           128           129           130 
      1  -0.334268D+01 -0.180096D+01  0.132960D+01 -0.117554D+01  0.156748D+01
      2  -0.440956D+00  0.132960D+01 -0.982610D+00  0.936304D+00 -0.152424D+01
      3   0.349589D+01 -0.117554D+01  0.936304D+00 -0.124597D+01  0.112375D+01
               131           132           133           134           135 
      1  -0.152424D+01  0.112375D+01 -0.196201D+01  0.162821D+01 -0.126896D+01
      2   0.409052D+01 -0.275577D+01  0.162821D+01 -0.284247D+01  0.221250D+01
      3  -0.275577D+01  0.288826D+01 -0.126896D+01  0.221250D+01 -0.257789D+01
               136           137           138           139           140 
      1   0.369853D+01  0.199844D+01 -0.402911D+00  0.279043D+01  0.256696D+01
      2   0.199844D+01  0.205222D+01 -0.379525D+00  0.256696D+01  0.447061D+01
      3  -0.402911D+00 -0.379525D+00  0.592073D+00 -0.960284D+00 -0.141490D+01
               141           142           143           144           145 
      1  -0.960284D+00 -0.726484D+00 -0.808274D+00  0.428028D+00  0.191840D+01
      2  -0.141490D+01 -0.808274D+00 -0.185962D+01  0.766325D+00 -0.146070D+01
      3   0.130931D+01  0.428028D+00  0.766325D+00 -0.744793D+00  0.146520D+01
               146           147           148           149           150 
      1  -0.146070D+01  0.146520D+01 -0.157490D+01  0.176036D+01 -0.124872D+01
      2   0.145715D+01 -0.115120D+01  0.176036D+01 -0.527807D+01  0.295765D+01
      3  -0.115120D+01  0.134004D+01 -0.124872D+01  0.295765D+01 -0.277804D+01
               151           152           153           154           155 
      1   0.155460D+01 -0.159405D+01  0.115365D+01 -0.328539D+01 -0.238404D+01
      2  -0.159405D+01  0.330339D+01 -0.220134D+01 -0.238404D+01 -0.289290D+01
      3   0.115365D+01 -0.220134D+01  0.205302D+01  0.529075D+00  0.373048D+00
               156           157           158           159           160 
      1   0.529075D+00 -0.316426D+01 -0.320002D+01  0.984375D+00  0.553447D+00
      2   0.373048D+00 -0.320002D+01 -0.603713D+01  0.139693D+01  0.644979D+00
      3  -0.369825D+00  0.984375D+00  0.139693D+01 -0.111699D+01 -0.354798D+00
               161           162           163           164           165 
      1   0.644979D+00 -0.354798D+00 -0.273378D+01 -0.161213D+01 -0.344116D+00
      2   0.193451D+01 -0.726607D+00 -0.161213D+01 -0.163141D+01 -0.720574D+00
      3  -0.726607D+00  0.504312D+00 -0.344116D+00 -0.720574D+00 -0.791533D+00
               166           167           168           169           170 
      1  -0.448174D+01 -0.269266D+01 -0.138814D+01  0.176585D+01 -0.580518D+00
      2  -0.269266D+01 -0.696478D+01 -0.256403D+01 -0.580518D+00 -0.101617D+01
      3  -0.138814D+01 -0.256403D+01 -0.186830D+01 -0.763422D+00 -0.105416D+01
               171           172           173           174           175 
      1  -0.763422D+00 -0.124942D+01  0.664175D+00 -0.110068D+01  0.388885D+01
      2  -0.105416D+01  0.664175D+00 -0.411031D+00  0.327100D-01 -0.937693D+00
      3  -0.143468D+01 -0.110068D+01  0.327100D-01 -0.980286D+00  0.942682D+00
               176           177           178           179           180 
      1  -0.937693D+00  0.942682D+00 -0.237452D+01  0.261122D+00 -0.241882D+01
      2   0.566233D+00 -0.141904D+01  0.261122D+00 -0.116866D+01  0.116370D+01
      3  -0.141904D+01  0.291500D+01 -0.241882D+01  0.116370D+01 -0.823738D+01
               181           182           183           184           185 
      1  -0.109538D+02 -0.108771D+01 -0.362023D+01 -0.211333D+01 -0.154498D+01
      2  -0.108771D+01 -0.125865D+01 -0.175321D+00 -0.154498D+01  0.427159D-01
      3  -0.362023D+01 -0.175321D+00 -0.234921D+01 -0.985292D-01 -0.524354D+00
               186           187           188           189           190 
      1  -0.985292D-01 -0.556001D+01  0.454847D-01 -0.267723D+01 -0.216540D+00
      2  -0.524354D+00  0.454847D-01 -0.691413D+00 -0.694305D+00  0.933612D+00
      3  -0.796445D+00 -0.267723D+01 -0.694305D+00 -0.217783D+01 -0.393826D+00
               191           192           193           194           195 
      1   0.933612D+00 -0.393826D+00  0.109192D+01 -0.640864D+00  0.200234D+00
      2  -0.258499D+00 -0.147304D-01 -0.640864D+00  0.303716D+01 -0.211303D+01
      3  -0.147304D-01 -0.231979D+00  0.200234D+00 -0.211303D+01  0.245891D+01
               196           197           198           199           200 
      1  -0.129349D+01  0.645557D+00 -0.527106D+00  0.586422D+01  0.201091D+00
      2   0.645557D+00 -0.378866D+01  0.325032D+01  0.201091D+00  0.209238D+01
      3  -0.527106D+00  0.325032D+01 -0.528605D+01  0.153337D+01  0.496437D+00
               201           202           203           204           205 
      1   0.153337D+01  0.530772D+00  0.735142D+00  0.219961D+00  0.217590D+01
      2   0.496437D+00  0.735142D+00  0.954533D+00  0.331519D+00  0.308452D+00
      3   0.150985D+01  0.219961D+00  0.331519D+00  0.771884D+00  0.854908D+00
               206           207           208           209           210 
      1   0.308452D+00  0.854908D+00 -0.616601D+01  0.360787D+01  0.253274D+01
      2   0.112618D+01  0.111575D+01  0.360787D+01 -0.328883D+01 -0.129780D+01
      3   0.111575D+01  0.129835D+01  0.253274D+01 -0.129780D+01 -0.186986D+01
               211           212           213           214           215 
      1   0.255975D+01 -0.257240D+01 -0.108040D+01  0.359780D+01 -0.208060D+01
      2  -0.257240D+01  0.266041D+01  0.110445D+01 -0.208060D+01  0.225008D+01
      3  -0.108040D+01  0.110445D+01  0.122934D+01 -0.221150D+01  0.193814D+01
               216           217           218           219           220 
      1  -0.221150D+01  0.593371D+01  0.423689D+00  0.120559D+01  0.540910D+00
      2   0.193814D+01  0.423689D+00  0.852706D+00 -0.167201D+00  0.160047D+00
      3   0.192606D+01  0.120559D+01 -0.167201D+00  0.258811D+01  0.775971D-01
               221           222           223           224           225 
      1   0.160047D+00  0.775971D-01  0.201518D+01 -0.532656D-01  0.112041D+01
      2  -0.433208D+00  0.439870D+00 -0.532656D-01  0.632337D+00  0.123242D+00
      3   0.439870D+00  0.765714D+00  0.112041D+01  0.123242D+00  0.269162D+01
               226           227           228           229           230 
      1  -0.107267D+01 -0.117225D+01  0.658690D+00 -0.223873D+01 -0.214495D+01
      2  -0.117225D+01 -0.143577D+01  0.538733D-01 -0.214495D+01 -0.842292D+01
      3   0.658690D+00  0.538733D-01 -0.424581D+00  0.494718D+00  0.932768D+00
               231           232           233           234           235 
      1   0.494718D+00  0.160415D+00 -0.161177D+00 -0.248150D+00 -0.687263D+01
      2   0.932768D+00 -0.161177D+00 -0.506449D+00 -0.562575D+00  0.882817D+00
      3  -0.142625D+01 -0.248150D+00 -0.562575D+00  0.145601D-01  0.426538D+01
               236           237           238           239           240 
      1   0.882817D+00  0.426538D+01  0.266312D+01 -0.136610D+01 -0.161934D+01
      2  -0.132981D+01 -0.475690D+00 -0.136610D+01  0.443997D+00  0.790310D+00
      3  -0.475690D+00 -0.336189D+01 -0.161934D+01  0.790310D+00  0.196343D+01
               241           242           243           244           245 
      1   0.408301D+01 -0.561919D+00 -0.343071D+01 -0.222234D+00 -0.153954D+01
      2  -0.561919D+00  0.641449D+00  0.741545D+00 -0.153954D+01  0.860000D+00
      3  -0.343071D+01  0.741545D+00  0.382899D+01  0.367464D+00 -0.362078D+00
               246           247           248           249           250 
      1   0.367464D+00 -0.299228D+01  0.136322D+01 -0.775998D+00  0.739758D+00
      2  -0.362078D+00  0.136322D+01 -0.442021D+01  0.193951D+01 -0.509432D+00
      3   0.756337D+00 -0.775998D+00  0.193951D+01 -0.210830D+01  0.139143D+01
               251           252           253           254           255 
      1  -0.509432D+00  0.139143D+01 -0.700219D+01 -0.155478D+01 -0.603269D+01
      2   0.208732D+01 -0.140999D+01 -0.155478D+01  0.609829D+00 -0.486704D+00
      3  -0.140999D+01  0.249156D+01 -0.603269D+01 -0.486704D+00  0.122775D+01
               256           257           258           259           260 
      1   0.282136D+01  0.219265D+01  0.106398D+01 -0.308512D+01  0.480349D+00
      2   0.219265D+01 -0.162310D+01  0.338603D+01  0.480349D+00  0.334228D+01
      3   0.106398D+01  0.338603D+01  0.234039D+01  0.263353D+01  0.976510D+00
               261           262           263           264           265 
      1   0.263353D+01  0.474640D+01 -0.163160D+01 -0.328045D+01  0.508203D+00
      2   0.976510D+00 -0.163160D+01  0.135185D+01  0.102019D+01  0.515461D+00
      3  -0.101895D+01 -0.328045D+01  0.102019D+01  0.311902D+01 -0.501702D+00
               266           267           268           269           270 
      1   0.515461D+00 -0.501702D+00 -0.462439D+01  0.155415D+01  0.449255D+01
      2  -0.795075D+00 -0.443420D+00  0.155415D+01 -0.179109D+01 -0.170625D+01
      3  -0.443420D+00  0.379280D+00  0.449255D+01 -0.170625D+01 -0.563777D+01
               271           272           273           274           275 
      1   0.287191D+00  0.718724D+00  0.155795D+00  0.164919D+01  0.106257D+00
      2   0.718724D+00 -0.727285D+00 -0.404847D-01  0.106257D+00  0.588617D+01
      3   0.155795D+00 -0.404847D-01 -0.408838D+00  0.320220D+00 -0.394066D+00
               276           277           278           279           280 
      1   0.320220D+00 -0.939323D+00 -0.141351D+00 -0.521761D+00  0.111670D+02
      2  -0.394066D+00 -0.141351D+00 -0.204796D+01  0.264635D+00  0.210004D+01
      3   0.153120D+01 -0.521761D+00  0.264635D+00 -0.111563D+01  0.515154D+01
               281           282           283           284           285 
      1   0.210004D+01  0.515154D+01  0.371810D+00  0.102877D+01  0.202304D+00
      2   0.162982D+01  0.131636D+01  0.102877D+01  0.638887D+00  0.390179D+00
      3   0.131636D+01  0.367695D+01  0.202304D+00  0.390179D+00 -0.127451D+00
               286           287           288           289           290 
      1   0.368932D+01  0.734279D+00  0.268878D+01 -0.181214D+01  0.167548D+00
      2   0.734279D+00  0.362534D+00  0.670518D+00  0.167548D+00 -0.985347D+00
      3   0.268878D+01  0.670518D+00  0.286122D+01  0.211030D+01 -0.656442D+00
               291           292           293           294           295 
      1   0.211030D+01 -0.598325D+00 -0.449608D+00 -0.935510D-01  0.216745D+01
      2  -0.656442D+00 -0.449608D+00  0.190838D+00  0.317477D+00 -0.876858D-01
      3  -0.363112D+01 -0.935510D-01  0.317477D+00 -0.840231D+00 -0.154248D+01
               296           297 
      1  -0.876858D-01 -0.154248D+01
      2   0.793986D+00  0.692005D+00
      3   0.692005D+00  0.618471D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.827327D+00  0.322698D+01 -0.987122D-01  0.536892D+01  0.929337D+00
      2   0.480033D+01 -0.402248D+01  0.427092D+01 -0.108256D+01 -0.526146D+01
      3  -0.135670D+02 -0.678669D+01  0.211414D+01 -0.116133D+01 -0.184455D+01
                 6             7             8             9            10 
      1  -0.219915D+01  0.551834D+01  0.256775D+01  0.112099D+01 -0.452999D+01
      2   0.205039D+01 -0.119991D+02 -0.318121D+01  0.779837D+00 -0.737854D+01
      3   0.956980D+00  0.587744D+01  0.112299D+01 -0.632736D+00  0.189756D+02
                11            12            13            14            15 
      1  -0.229720D+01  0.594421D+00 -0.962568D+01  0.501030D+01 -0.144125D+01
      2   0.114516D+01 -0.277549D+01  0.666982D+01  0.430784D+01 -0.191604D+01
      3   0.149512D+01  0.205533D+01  0.196388D+02  0.188348D+01  0.216859D+01
                16            17            18            19            20 
      1   0.319679D+01  0.644763D+01 -0.574092D+01  0.118682D+00 -0.109720D+01
      2  -0.151397D+02 -0.199181D+01 -0.270197D+00  0.449551D+01 -0.498867D+00
      3  -0.688213D+00  0.149104D+01  0.877118D+00  0.622820D+01 -0.421824D+01
                21            22            23            24            25 
      1  -0.156624D-01 -0.190803D+01 -0.203537D+01 -0.257057D+01 -0.657341D+01
      2   0.146613D+01 -0.640079D+01  0.203729D+01 -0.114965D+01 -0.102235D+02
      3   0.282246D+01 -0.112160D+01  0.716534D+00 -0.146758D+01  0.976968D+01
                26            27            28            29            30 
      1   0.177135D+01 -0.411655D+01  0.248533D+01 -0.452455D+01  0.366260D+01
      2   0.153695D+01 -0.268041D+01  0.508059D+01  0.192478D+01 -0.678954D-01
      3  -0.175411D+01  0.476018D+01 -0.155892D+02  0.100361D+01 -0.436562D+01
                31            32            33            34            35 
      1  -0.656564D+01  0.421101D+01 -0.117187D+01  0.777164D+01  0.684121D+01
      2   0.479294D+01  0.432971D+01  0.179249D+01 -0.107143D+02 -0.100434D+01
      3   0.222464D+02  0.395774D+01  0.191813D+01 -0.871217D+01  0.147864D+01
                36            37            38            39            40 
      1  -0.195825D+01 -0.371182D+01  0.104980D+01 -0.808340D+00  0.712870D+00
      2  -0.572590D+01  0.339867D+00 -0.389504D+01  0.370187D+01 -0.531064D-03
      3  -0.579803D+01  0.448431D+01 -0.404620D+01  0.517872D+01  0.129506D+02
                41            42            43            44            45 
      1   0.496030D+00 -0.187281D+01  0.379556D+01  0.122796D+01  0.446276D+01
      2  -0.401315D+01 -0.388105D+00 -0.959969D+01 -0.301874D+01  0.996084D+00
      3  -0.285583D+00  0.328465D+01  0.473668D+01  0.349707D+00  0.391435D+00
                46            47            48            49            50 
      1   0.466945D+01  0.955067D+00 -0.208112D+01 -0.504082D+01 -0.807659D+00
      2   0.644774D+01 -0.102403D+01  0.168104D+01 -0.840749D+01  0.204281D+01
      3  -0.658598D+01 -0.377955D+01 -0.180284D+01  0.987399D+01 -0.523612D+00
                51            52            53            54            55 
      1  -0.363135D+01 -0.667881D+01  0.268666D+01 -0.163567D+01  0.285954D+01
      2   0.133396D-01 -0.701514D+01  0.308807D+01 -0.281650D+01  0.216681D+02
      3   0.153577D+01 -0.554363D+01 -0.301877D+01  0.131738D+01 -0.164122D+02
                56            57            58            59            60 
      1  -0.376005D+00 -0.136187D+01 -0.337711D+01 -0.710796D+01 -0.695441D+01
      2  -0.445677D+01 -0.293957D+01 -0.899346D+01 -0.138330D+01  0.110089D+02
      3   0.517078D+01  0.301048D+01  0.228182D+02  0.145259D+02  0.702681D+01
                61            62            63            64            65 
      1  -0.188614D+01 -0.164356D+01  0.751681D+01 -0.241402D+01 -0.121623D+00
      2  -0.252973D+02  0.105636D+02 -0.119122D+02 -0.328009D+02  0.425983D+01
      3   0.798812D+01  0.282207D+01 -0.111730D+02  0.190395D+02 -0.817156D+01
                66            67            68            69            70 
      1   0.358598D+00  0.428704D+01  0.498153D+00 -0.370594D+01 -0.981936D-01
      2   0.212974D+01  0.109927D+02  0.420668D+00 -0.134141D+02  0.488309D+01
      3  -0.242177D+01 -0.388254D+01 -0.193508D+02 -0.384078D+01 -0.121788D+02
                71            72            73            74            75 
      1   0.317224D+01 -0.506161D+00  0.948960D+01 -0.282834D+01 -0.898866D+00
      2  -0.154003D+02  0.635595D+01  0.205095D+02 -0.431077D+01  0.105927D+01
      3  -0.496023D+01  0.158271D+02 -0.173406D+02 -0.349487D+01 -0.458602D+01
                76            77            78            79            80 
      1  -0.213806D+01 -0.265161D+01  0.679229D+01 -0.331093D+01  0.133802D+02
      2  -0.399199D+01 -0.307096D+01  0.138734D+02 -0.550608D+01  0.177074D+02
      3  -0.273839D+01  0.135821D+02  0.570072D+01 -0.506755D+01  0.881571D+01
                81            82            83            84            85 
      1  -0.639865D+01 -0.597402D+01  0.305913D+01  0.262558D+01  0.553219D+01
      2  -0.107617D+02  0.257456D+02 -0.225094D+01  0.835210D+01 -0.510946D+01
      3  -0.178294D+02 -0.887729D+01  0.521703D+01  0.845579D+01  0.117443D+02
                86            87            88            89            90 
      1   0.122622D+02 -0.490548D+01  0.370465D+01  0.119110D+01 -0.469965D+01
      2  -0.244158D+01  0.104632D+02  0.650226D+01  0.105118D+02 -0.256020D+01
      3   0.269169D+02 -0.223636D+00  0.126577D+02  0.463131D+01 -0.129342D+02
                91            92            93            94            95 
      1  -0.189652D+01 -0.228835D+01 -0.575714D+00 -0.517667D+01  0.186716D+01
      2   0.128969D+02 -0.122234D+01 -0.572539D+00 -0.366867D+01 -0.999460D+01
      3  -0.517158D+00 -0.138681D+01  0.145796D+01  0.149183D+02 -0.719748D+01
                96            97            98            99           100 
      1  -0.829792D+01  0.159769D+01  0.401607D+00  0.607297D+00  0.220354D+01
      2  -0.334911D+01 -0.297299D+02 -0.100006D+01  0.189225D+01 -0.243222D+02
      3   0.130607D+02  0.338066D+01  0.112729D+02  0.254643D+01  0.316504D+01
               101           102           103           104           105 
      1   0.695416D+01  0.273535D+01  0.248373D+01  0.281537D+01  0.722771D+01
      2   0.322760D+01  0.852693D+01  0.120558D+02  0.845889D+01 -0.100294D+02
      3   0.172144D+01 -0.111284D+01  0.601350D+01  0.123962D+02 -0.919742D+01
               106           107           108           109           110 
      1  -0.137403D+01  0.430510D+01 -0.141987D+00 -0.143069D+01 -0.348918D+01
      2  -0.134380D+01 -0.198537D+01  0.710093D+01  0.748426D+00 -0.115161D+01
      3   0.820013D-01 -0.188681D+02 -0.368787D+00 -0.105940D+02 -0.122051D+02
               111           112           113           114           115 
      1  -0.328861D+01  0.334421D+00 -0.573593D+01 -0.823779D+01 -0.101842D+01
      2   0.542913D+01 -0.104391D+02 -0.763762D+01  0.146944D+02  0.636784D+01
      3   0.971625D+00 -0.439467D+01 -0.331113D+02  0.504452D+01 -0.175592D+01
               116           117           118           119           120 
      1   0.382011D+01  0.180901D+01  0.268914D+01 -0.424796D+00 -0.707451D+00
      2   0.894187D+01 -0.124410D+02  0.104009D+02 -0.418661D+01 -0.844127D+01
      3   0.127889D+02 -0.792654D+01  0.495726D+01 -0.218268D+01  0.914737D+00
               121           122           123           124           125 
      1   0.296897D+01  0.334033D+01 -0.785719D+01 -0.179101D+01  0.139628D+01
      2   0.938602D+00 -0.534257D+01 -0.510539D+01 -0.107316D+02 -0.240440D+01
      3  -0.625662D+00  0.204404D+02  0.433882D+01  0.353026D+01  0.106797D+01
               126           127           128           129           130 
      1   0.242797D+01 -0.950493D+00  0.108616D+01  0.104432D+01  0.135893D+01
      2   0.100356D+02 -0.326477D+01  0.948878D+00  0.582701D-01  0.231218D+01
      3   0.484300D+01 -0.323999D+01  0.406319D+00 -0.324541D+00  0.280213D+01
               131           132           133           134           135 
      1  -0.337482D+01 -0.143899D+01 -0.152184D+01  0.417657D+01 -0.799655D-01
      2   0.311473D+00 -0.187959D+01 -0.427195D+01  0.278633D+00  0.120092D+01
      3   0.145116D+01 -0.631944D+00 -0.235707D+01 -0.922879D+00  0.180830D+00
               136           137           138           139           140 
      1  -0.161246D+01 -0.242032D+01 -0.170360D+01 -0.117384D+01 -0.170702D+01
      2   0.444135D+01  0.166462D+01  0.802698D+00  0.250203D+01  0.147247D+01
      3   0.634527D+01  0.365844D+00 -0.318417D+00  0.506096D+01 -0.126029D+01
               141           142           143           144           145 
      1  -0.296490D+01 -0.185517D+00  0.190967D+01  0.277422D-01  0.174794D+01
      2   0.141096D+01 -0.902667D+00 -0.490764D+00 -0.686297D+00 -0.116498D+01
      3  -0.167454D+00  0.652049D+00  0.126231D+01  0.283687D+00 -0.467054D+01
               146           147           148           149           150 
      1  -0.413847D+00  0.277605D+01 -0.773910D+00  0.367178D+00 -0.475099D+01
      2   0.308798D-01  0.553386D+00  0.955712D+00  0.666670D+00 -0.210511D+01
      3   0.739568D+00 -0.181680D+01  0.388158D+01  0.695308D-01  0.965255D+00
               151           152           153           154           155 
      1   0.562995D+00  0.149712D+01  0.220934D+01  0.873246D+00 -0.644353D+00
      2  -0.272454D+01 -0.227142D+00  0.765230D+00  0.146303D+01  0.529147D+00
      3  -0.360002D+01  0.644431D+00 -0.118249D+01  0.690413D+01  0.316074D+00
               156           157           158           159           160 
      1  -0.221286D+01  0.183598D+01  0.158177D+01 -0.420635D+01 -0.203966D+00
      2   0.106720D+01  0.158453D+00  0.351827D+00  0.192417D+01 -0.145428D+01
      3  -0.898830D+00  0.607486D+01 -0.148081D+01 -0.601094D+00  0.938959D-01
               161           162           163           164           165 
      1   0.867021D+00  0.853160D+00  0.192061D+01  0.198743D+01 -0.181761D+00
      2   0.124142D+00 -0.579985D+00 -0.320441D+01 -0.329157D-01  0.334242D+01
      3   0.113635D+01  0.802312D-01 -0.441338D+01 -0.577807D+01 -0.218773D+01
               166           167           168           169           170 
      1   0.249755D+01  0.907907D+01 -0.728969D+00  0.670422D+00  0.202232D+01
      2  -0.160987D+01  0.383328D+01  0.470676D+01  0.254259D+01  0.193922D+01
      3  -0.239851D+01 -0.213653D+02 -0.759179D+01 -0.356992D+01 -0.310620D+01
               171           172           173           174           175 
      1  -0.684092D-01 -0.169376D+01  0.923842D+00 -0.465417D+00  0.156638D+01
      2   0.375199D+01  0.263298D+01  0.509851D+00  0.298369D+01  0.273085D+01
      3  -0.251281D+01  0.447740D+01 -0.325379D+01  0.109980D+01 -0.357326D+01
               176           177           178           179           180 
      1  -0.247288D+01  0.264793D+01 -0.168650D+01  0.577320D+01 -0.657959D+01
      2   0.308348D+01 -0.868109D+01  0.187776D+01 -0.329254D+01  0.235121D+02
      3   0.217332D+01 -0.541783D+01  0.210296D+01 -0.467223D+01  0.648999D+01
               181           182           183           184           185 
      1   0.319577D+00  0.117773D+01 -0.208829D-01  0.215482D+00  0.739757D-02
      2   0.871125D+01  0.267582D-02  0.115795D+02 -0.144139D+01  0.135489D+01
      3  -0.370268D+01 -0.881548D+01 -0.333555D+00 -0.444893D+01  0.868336D+00
               186           187           188           189           190 
      1  -0.810180D+00 -0.140481D+00  0.167653D+01  0.248968D+00  0.455043D+00
      2   0.382322D+01  0.544927D+01  0.360467D+01  0.816480D+01  0.186715D+01
      3  -0.211077D+01  0.162619D+01 -0.354945D+01 -0.320525D+01  0.535497D+01
               191           192           193           194           195 
      1   0.152760D-01  0.121644D+00 -0.181084D+00  0.308873D+01 -0.691346D+01
      2   0.160875D+00  0.121181D+01  0.268857D+00  0.779714D+01 -0.927696D+01
      3  -0.293255D+00 -0.631823D+00  0.159063D+01  0.110608D+02 -0.870535D+01
               196           197           198           199           200 
      1   0.178923D+00 -0.311988D+01  0.119239D+02 -0.281109D+01 -0.189006D+00
      2  -0.145189D+01 -0.117808D+02  0.203100D+02 -0.864937D+01 -0.198085D+01
      3  -0.142760D+01 -0.151722D+02  0.134154D+02  0.195308D+02  0.751368D+01
               201           202           203           204           205 
      1  -0.406189D+01 -0.349687D+00 -0.911272D+00 -0.236823D+01 -0.232593D+01
      2  -0.472206D+01 -0.757957D+00 -0.152896D+01 -0.221773D+01 -0.602243D+01
      3   0.589440D+01  0.705401D+01  0.442929D+01  0.233953D+01  0.621884D+01
               206           207           208           209           210 
      1  -0.412344D+00 -0.250877D+01 -0.563987D+01  0.184289D+01  0.535147D+01
      2  -0.395353D+01 -0.421674D+01 -0.100978D+02  0.523556D+01  0.968629D+01
      3   0.463909D+01  0.681574D+01  0.307220D+01 -0.977252D+01 -0.433493D+00
               211           212           213           214           215 
      1   0.294189D+01 -0.208614D+01 -0.418307D+01  0.470315D+01 -0.217497D+01
      2   0.358066D+01 -0.453566D+01 -0.584381D+01  0.731167D+01 -0.784532D+01
      3  -0.304006D+01  0.682899D+01  0.219314D+01 -0.153879D+00  0.672281D+01
               216           217           218           219           220 
      1  -0.456884D+01  0.424438D+00  0.266884D+01  0.133683D+01  0.102577D+01
      2  -0.867474D+01 -0.207840D+02  0.394552D+00 -0.124712D+02 -0.338913D+00
      3   0.452271D+01 -0.420300D+01  0.217797D+01 -0.187820D+01  0.313791D+01
               221           222           223           224           225 
      1  -0.181604D+00 -0.310281D+00  0.597737D+00  0.220435D+01  0.194187D+01
      2  -0.229091D+01 -0.302514D+01 -0.116366D+02 -0.547155D+00 -0.126544D+02
      3  -0.204147D+01  0.137131D+01 -0.242830D+01  0.143101D+01 -0.789400D+00
               226           227           228           229           230 
      1  -0.988826D+00 -0.208297D+01 -0.566393D+00 -0.211442D+01 -0.122544D+02
      2  -0.292321D+01  0.800787D+00  0.164570D+01  0.833761D+00 -0.299412D+01
      3  -0.489743D+01 -0.578695D+01 -0.186532D+00 -0.300088D+01 -0.350613D+02
               231           232           233           234           235 
      1  -0.351065D+01 -0.137689D+00  0.430210D-01 -0.997060D+00  0.465164D+01
      2   0.638794D+01 -0.809372D+00  0.213878D+01  0.639454D+00 -0.915274D+01
      3   0.315661D+01 -0.537178D+00 -0.230981D+01 -0.211069D+01  0.832404D+01
               236           237           238           239           240 
      1  -0.402835D+01 -0.300553D+01 -0.293455D+01  0.186109D+01  0.107761D+01
      2   0.571878D+00  0.115081D+02  0.300388D+01 -0.183406D+01 -0.758341D+01
      3  -0.903221D+01 -0.479306D+01 -0.683895D+01  0.332664D+01  0.402082D+01
               241           242           243           244           245 
      1  -0.413069D+01  0.342364D+01  0.351756D+01 -0.200573D+01  0.108705D+01
      2   0.627403D+01 -0.230389D+01 -0.134443D+02  0.145974D+01  0.222873D+00
      3  -0.545664D+01  0.439617D+01  0.557981D+01  0.544132D+01 -0.269487D+01
               246           247           248           249           250 
      1  -0.280988D+00  0.911982D+00 -0.515725D+01 -0.779835D+00 -0.750374D+00
      2   0.278619D+01  0.838507D+00  0.481580D+01 -0.517453D+01  0.149614D+01
      3   0.148088D+01  0.905294D+00  0.131035D+02 -0.547881D+01  0.914111D+00
               251           252           253           254           255 
      1   0.336894D+01 -0.364417D+00  0.394583D+01  0.376628D+01 -0.383060D+01
      2  -0.355632D+01  0.566212D+01 -0.512440D+01  0.106099D+01  0.181893D+02
      3  -0.650788D+01  0.375073D+01 -0.433925D+01 -0.703515D+01 -0.634740D+01
               256           257           258           259           260 
      1   0.452513D+01 -0.102031D+02  0.397487D+01 -0.125949D+01  0.909480D+01
      2   0.149805D+01  0.840180D+01  0.615918D+01  0.146389D+02  0.308583D+01
      3  -0.783837D+01  0.722682D+01 -0.124953D+02 -0.738552D+01 -0.115474D+02
               261           262           263           264           265 
      1   0.536453D+01 -0.236053D+01 -0.102168D+01  0.287866D+01  0.428997D+00
      2  -0.720402D+01 -0.867133D+01  0.381454D+01  0.109112D+02 -0.156684D+01
      3  -0.171811D+01  0.195117D+01 -0.484402D+01 -0.108724D+01 -0.879616D+00
               266           267           268           269           270 
      1  -0.100322D+01 -0.552846D+00  0.372839D+01  0.102056D+01 -0.474452D+01
      2  -0.145512D+01  0.164974D+01  0.128424D+02 -0.582131D+01 -0.209799D+02
      3   0.166067D+01  0.116142D+01 -0.142921D+01  0.664758D+01  0.263675D+01
               271           272           273           274           275 
      1   0.231113D+01 -0.178623D+01  0.143143D+01 -0.101974D+01  0.134966D+02
      2   0.267790D+00 -0.101869D+01 -0.111246D+01 -0.151641D+01 -0.104936D+01
      3  -0.354669D+01  0.270309D+01 -0.588320D+00  0.420369D+01 -0.175896D+02
               276           277           278           279           280 
      1  -0.619188D+01  0.146092D+01 -0.400065D+01  0.483162D+01 -0.135291D+01
      2   0.364720D+01 -0.171143D+01  0.846668D+00 -0.256247D+01 -0.520218D+01
      3   0.211290D+01 -0.294345D+01  0.654820D+01 -0.194904D+01  0.492591D+01
               281           282           283           284           285 
      1   0.351942D+01 -0.196076D+01  0.163638D+01  0.140788D+01 -0.641755D+00
      2   0.876729D+00  0.498740D+01 -0.180767D+00 -0.871533D+00 -0.453479D+00
      3  -0.602583D+01  0.664214D+00 -0.133983D+01 -0.165011D+01 -0.228472D+00
               286           287           288           289           290 
      1  -0.166568D+01  0.119925D+01 -0.208465D+01 -0.261933D+01 -0.328606D+01
      2  -0.187321D+00  0.527342D+00  0.485377D+01  0.124077D+02 -0.153411D+01
      3   0.229067D+01 -0.151811D+01  0.574227D+00 -0.362083D+01  0.188325D+01
               291           292           293           294           295 
      1   0.321005D+01 -0.189679D+01 -0.425525D+00  0.507538D-01  0.219187D+01
      2  -0.134008D+02  0.137344D+01  0.201894D+01 -0.201267D+01 -0.114781D+02
      3   0.419957D+01  0.213204D+01 -0.914638D+00 -0.552615D+00  0.331378D+01
               296           297 
      1   0.275533D+01 -0.587455D+01
      2   0.196866D+01  0.205040D+02
      3  -0.136189D+01 -0.476227D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.234435D+01  0.129014D+02 -0.441023D+01 -0.274912D+02  0.143972D+02
      2   0.579223D+01 -0.124033D+02  0.667052D+01  0.169748D+02 -0.387658D+01
      3  -0.344788D+01 -0.498060D+00 -0.226028D+01  0.105164D+02 -0.105206D+02
      4   0.971954D+01  0.445007D+01  0.571591D+01  0.147841D+02 -0.352837D+00
      5  -0.899757D+01  0.727166D+01 -0.556887D+01 -0.618172D+01 -0.334401D+01
      6   0.822942D+01  0.131608D+01  0.691090D+00 -0.538627D+01  0.872058D+01
                 6             7             8             9            10 
      1  -0.128233D+02  0.964437D+01  0.360053D+01 -0.988935D+01  0.594398D+02
      2   0.624554D+01 -0.758824D+01  0.195240D+01 -0.971686D+01 -0.314497D+02
      3   0.657781D+01 -0.205612D+01 -0.555293D+01  0.196062D+02 -0.279900D+02
      4  -0.318807D+01  0.979532D+01 -0.759877D+01  0.367490D+01 -0.225179D+01
      5  -0.120055D+01  0.397346D+01  0.345536D+01 -0.229483D+01  0.999225D+01
      6  -0.604700D+01  0.641310D+01 -0.144996D+01  0.405895D+01  0.126576D+01
                11            12            13            14            15 
      1  -0.242164D+01  0.736789D+01 -0.108214D+02 -0.154274D+02  0.582481D+01
      2   0.636255D+01 -0.629641D+01  0.394893D+01  0.122256D+02 -0.105268D+02
      3  -0.394091D+01 -0.107148D+01  0.687250D+01  0.320180D+01  0.470198D+01
      4   0.678342D+01 -0.480085D+01 -0.100119D+02  0.392505D+01  0.907590D+00
      5  -0.418316D+01  0.796621D+00  0.121562D+02  0.120373D+00  0.103654D+01
      6   0.178682D+01 -0.715068D+00 -0.453967D+00 -0.398526D+01  0.551517D+01
                16            17            18            19            20 
      1   0.358218D+01  0.708378D+01 -0.669203D+01  0.234289D+01 -0.137399D+02
      2  -0.549169D+01 -0.183845D+01 -0.192895D+01 -0.944963D+01  0.587107D+01
      3   0.190951D+01 -0.524533D+01  0.862098D+01  0.710675D+01  0.786885D+01
      4   0.141901D+02  0.295757D+01 -0.166181D+00 -0.130992D+02 -0.669914D+01
      5   0.992076D+01  0.780626D-01  0.555049D+01  0.245241D+01 -0.293552D+01
      6   0.951394D+01  0.113832D+02  0.492404D+01 -0.526894D+01 -0.497065D+01
                21            22            23            24            25 
      1   0.120034D+02  0.178814D+02  0.130751D+01 -0.283932D+01 -0.110575D+02
      2  -0.116416D+01 -0.121960D+02 -0.128257D+01  0.307253D+01  0.115626D+02
      3  -0.108393D+02 -0.568531D+01 -0.249379D-01 -0.233210D+00 -0.505101D+00
      4  -0.759460D+00  0.635469D+01 -0.518115D+01  0.580225D+01 -0.774269D+01
      5   0.706907D+01  0.328792D+01  0.716256D+01 -0.231778D+01  0.728001D+01
      6   0.116523D+01  0.125436D+02  0.806201D+01  0.464424D+01 -0.741576D+01
                26            27            28            29            30 
      1  -0.133680D+02 -0.110215D+01  0.112166D+02  0.413724D+01  0.291756D+01
      2   0.142077D+02 -0.459600D+01 -0.102474D+02 -0.474200D+01 -0.318344D+01
      3  -0.839710D+00  0.569814D+01 -0.969215D+00  0.604758D+00  0.265882D+00
      4  -0.501540D+00 -0.288635D+01 -0.110301D+01  0.520829D+01 -0.181922D+01
      5  -0.163079D+01 -0.499722D+01  0.565003D+01 -0.138421D+01  0.337101D+01
      6   0.258503D+00 -0.258154D+00  0.784394D+01  0.227067D+01 -0.199137D+01
                31            32            33            34            35 
      1  -0.693017D+01 -0.147999D+02  0.498512D+01 -0.559688D+01  0.785499D+01
      2  -0.227630D+01  0.860913D+01 -0.122974D+02  0.332838D+00 -0.627849D+01
      3   0.920648D+01  0.619072D+01  0.731231D+01  0.526405D+01 -0.157650D+01
      4  -0.949935D+01 -0.236754D+01  0.163848D+01  0.153157D+02  0.293933D+01
      5   0.127608D+02  0.183873D+01  0.561296D+01  0.147536D+02  0.167924D+01
      6  -0.551375D+01 -0.659724D+01  0.442005D+01  0.367849D+01  0.989886D+01
                36            37            38            39            40 
      1  -0.236466D+01  0.846007D+01  0.196279D+02 -0.155826D+01 -0.174297D+02
      2  -0.156268D+01  0.263994D+01 -0.197391D+02  0.467479D+01  0.149050D+02
      3   0.392734D+01 -0.111000D+02  0.111258D+00 -0.311653D+01  0.252474D+01
      4   0.911625D+00  0.711034D+01 -0.986497D+00  0.614247D+01  0.961007D+01
      5  -0.126859D+01 -0.724952D+01  0.840808D+01 -0.608960D+01  0.968240D+00
      6   0.269353D+01  0.534611D+01 -0.382783D+01 -0.336216D+00 -0.874196D+01
                41            42            43            44            45 
      1   0.587273D+01 -0.103060D+02  0.635906D+01 -0.286044D+01 -0.800863D+01
      2   0.351377D+01  0.974507D+01 -0.987637D+01  0.789773D+01 -0.610317D+01
      3  -0.938650D+01  0.560895D+00  0.351732D+01 -0.503729D+01  0.141118D+02
      4   0.232309D+01 -0.502471D+01  0.505233D+01 -0.111299D+02  0.490886D+01
      5  -0.427623D+01 -0.298864D+01  0.857328D+01  0.454134D+01 -0.116832D+01
      6   0.124703D+02 -0.695646D+01  0.576938D+01  0.122052D+01 -0.542441D+00
                46            47            48            49            50 
      1  -0.120559D+01 -0.147741D+02  0.732719D+01  0.252399D+02 -0.543381D+01
      2  -0.734430D+01  0.702374D+01 -0.339057D+01 -0.201451D+02  0.348068D+01
      3   0.854989D+01  0.775038D+01 -0.393662D+01 -0.509489D+01  0.195312D+01
      4  -0.106333D+02 -0.964699D+01 -0.777426D+00  0.574341D-01 -0.760974D+01
      5  -0.339144D+01 -0.295979D+01  0.837386D+01  0.827525D+01  0.554897D+01
      6  -0.324250D+01 -0.736216D+01  0.492535D+01  0.104747D+02  0.114175D+02
                51            52            53            54            55 
      1  -0.194637D+01 -0.272140D+02 -0.199851D+02 -0.132354D+00 -0.501455D+02
      2   0.375739D+01  0.167667D+02  0.218637D+02 -0.173778D+01  0.225300D+02
      3  -0.181102D+01  0.104473D+02 -0.187860D+01  0.187014D+01  0.276155D+02
      4   0.584764D+01 -0.765730D+01  0.200009D+01  0.733017D+00  0.100607D+02
      5   0.385227D+00  0.982848D+01 -0.109735D+01 -0.376886D+01  0.139021D+02
      6   0.607256D+01 -0.312285D+01  0.623805D+01  0.433634D+00 -0.143562D-01
                56            57            58            59            60 
      1   0.886569D+01  0.100786D+02  0.238766D+02 -0.242538D+01 -0.917196D+01
      2  -0.447925D+01 -0.464734D+01 -0.204161D+02 -0.487040D+01 -0.680401D+01
      3  -0.438644D+01 -0.543129D+01 -0.346054D+01  0.729579D+01  0.159760D+02
      4  -0.159147D+02 -0.604818D+01 -0.253630D+02 -0.401478D+02 -0.174511D+02
      5  -0.652551D+01 -0.104231D+02 -0.910056D+01 -0.165783D+02  0.184488D+02
      6  -0.323289D+01 -0.166771D+01 -0.115529D+02 -0.141098D+02 -0.670757D+01
                61            62            63            64            65 
      1   0.367309D+02 -0.102176D+02  0.566315D+01 -0.434565D+02 -0.226552D+02
      2  -0.969105D+01 -0.319046D+01  0.137532D+02  0.259623D+02  0.968269D+01
      3  -0.270398D+02  0.134080D+02 -0.194164D+02  0.174942D+02  0.129725D+02
      4  -0.928742D+01 -0.808629D+01  0.145985D+02 -0.239761D+02  0.117566D+02
      5  -0.192975D+02  0.145781D+02 -0.340251D+02 -0.577560D+02  0.460783D+01
      6  -0.126226D+01 -0.380813D+01  0.573569D+01  0.110810D+01  0.484968D+00
                66            67            68            69            70 
      1  -0.532690D+02 -0.423907D+02  0.846407D+01  0.447923D+01 -0.858186D+02
      2   0.258976D+02  0.260924D+02 -0.922870D+01 -0.451075D+01  0.421173D+02
      3   0.273715D+02  0.162984D+02  0.764632D+00  0.315170D-01  0.437013D+02
      4   0.556312D+01  0.828922D+01  0.369508D+02  0.489742D+01  0.132222D+02
      5  -0.530204D+01  0.832436D+01  0.365469D+01 -0.263314D+02 -0.897499D+01
      6   0.107657D+01  0.131981D+01 -0.277483D+00  0.483175D+00 -0.365626D+01
                71            72            73            74            75 
      1   0.865668D+01 -0.165810D+02  0.850040D+01  0.267691D+02  0.382893D+02
      2  -0.572231D+01  0.107926D+02 -0.120224D+02 -0.965654D+01 -0.170582D+02
      3  -0.293437D+01  0.578836D+01  0.352195D+01 -0.171126D+02 -0.212311D+02
      4   0.106763D+02 -0.285475D+02  0.252438D+02 -0.234347D+02 -0.224033D+02
      5  -0.290623D+02  0.101452D+02  0.383803D+02 -0.138640D+02 -0.458291D+01
      6   0.223288D+01  0.217334D+01 -0.187370D+02  0.439606D+01 -0.443214D+00
                76            77            78            79            80 
      1   0.290320D+02 -0.143333D+02 -0.120266D+02  0.484580D+02 -0.205138D+02
      2  -0.127881D+02  0.179811D+02  0.761596D+01 -0.207961D+02  0.115985D+02
      3  -0.162440D+02 -0.364776D+01  0.441062D+01 -0.276619D+02  0.891524D+01
      4  -0.177162D+02 -0.124129D+02 -0.409636D+01 -0.284515D+02 -0.611825D+01
      5  -0.101718D+02 -0.431481D+01  0.292094D+02 -0.103574D+02  0.374682D+02
      6   0.370837D+01  0.535778D+01 -0.149951D+02  0.535599D+01 -0.173877D+02
                81            82            83            84            85 
      1   0.577443D+01  0.481550D+01  0.172654D+02  0.500539D+02  0.261840D+02
      2  -0.108949D+02  0.132550D+02 -0.125007D+02 -0.252272D+02 -0.220366D+02
      3   0.512048D+01 -0.180705D+02 -0.476479D+01 -0.248267D+02 -0.414739D+01
      4   0.379359D+02  0.190807D+02 -0.101860D+02 -0.542619D+01 -0.153743D+02
      5  -0.222350D+02  0.453989D+02 -0.108313D+02 -0.210761D+02 -0.216401D+02
      6   0.119434D+02 -0.346326D+01  0.219133D+01  0.311044D+01  0.336389D+01
                86            87            88            89            90 
      1  -0.109536D+02 -0.126218D+02  0.574952D+02 -0.783692D+01 -0.790485D+01
      2  -0.921899D+01  0.129559D+02 -0.310565D+02  0.990968D+01  0.507006D+01
      3   0.201726D+02 -0.334134D+00 -0.264387D+02 -0.207276D+01  0.283479D+01
      4  -0.591597D+02 -0.144699D+01 -0.976434D+01 -0.107834D+02  0.234838D+02
      5   0.216864D+01  0.263549D+02 -0.191337D+02  0.245516D+02  0.978022D+00
      6   0.997852D+01  0.317863D+01  0.507237D+01  0.354785D+01 -0.883981D+01
                91            92            93            94            95 
      1  -0.441468D-01  0.900388D+01  0.160174D+02  0.654457D+01  0.471617D+01
      2  -0.849245D+00 -0.426363D+01 -0.448754D+01  0.307038D+00  0.249773D+01
      3   0.893392D+00 -0.474025D+01 -0.115299D+02 -0.685161D+01 -0.721390D+01
      4   0.830139D+01 -0.334451D+01 -0.348271D+00 -0.122589D+02  0.148769D+02
      5   0.130963D+02 -0.211235D+00 -0.562826D+01 -0.116912D+02 -0.247001D+02
      6   0.528446D+00 -0.549562D+01 -0.806037D+00 -0.132267D+02  0.543417D+01
                96            97            98            99           100 
      1   0.154376D+01  0.296341D+02 -0.311935D-01 -0.109634D+02 -0.615314D+01
      2   0.520702D+01 -0.124253D+02 -0.302955D+00  0.580565D+01 -0.301045D+00
      3  -0.675078D+01 -0.172088D+02  0.334149D+00  0.515773D+01  0.645419D+01
      4  -0.242110D+02 -0.994009D+01 -0.201377D+02  0.786306D+00 -0.125542D+02
      5  -0.664046D+01 -0.326171D+02  0.916443D+00 -0.181176D+01  0.406453D+01
      6  -0.160138D+02 -0.407074D+01 -0.116677D+02 -0.387796D+01  0.709909D+00
               101           102           103           104           105 
      1  -0.917637D+01 -0.528699D+01 -0.335775D+02 -0.159469D+02  0.169447D+02
      2   0.463415D+01  0.124092D+01  0.231482D+02  0.698163D+00 -0.162972D+02
      3   0.454222D+01  0.404607D+01  0.104292D+02  0.152487D+02 -0.647449D+00
      4  -0.187138D+02  0.275326D+01 -0.350686D+02 -0.172939D+02  0.191098D+02
      5   0.307571D+01  0.735681D+01  0.266811D+02  0.184017D+02 -0.235074D+02
      6   0.908697D+01 -0.493975D+00  0.100641D+02  0.283249D+01 -0.118545D+02
               106           107           108           109           110 
      1   0.915145D+01  0.568863D+01  0.153193D+02  0.471602D+02  0.254373D+02
      2   0.995883D+00 -0.306621D+01 -0.985782D+01 -0.216205D+02 -0.919223D+01
      3  -0.101473D+02 -0.262242D+01 -0.546147D+01 -0.255397D+02 -0.162450D+02
      4   0.580260D+01  0.342604D+02 -0.521146D+01  0.355709D+02  0.310954D+02
      5   0.159731D+02 -0.479494D+01 -0.355406D+01 -0.181195D+02 -0.610445D+01
      6  -0.237825D+00 -0.622744D+01  0.169785D+00 -0.679073D+01 -0.602855D+01
               111           112           113           114           115 
      1  -0.115184D+02  0.510713D+02  0.130136D+02 -0.966868D+01 -0.187631D+02
      2   0.665676D+01 -0.236110D+02  0.654712D+01  0.722936D+01  0.124623D+02
      3   0.486165D+01 -0.274603D+02 -0.195607D+02  0.243932D+01  0.630074D+01
      4  -0.395773D+01  0.432597D+02  0.684459D+02 -0.147453D+02 -0.105906D+02
      5   0.129218D+02 -0.238238D+02 -0.146188D+02  0.308456D+02  0.219154D+02
      6   0.377590D+01 -0.735300D+01 -0.168014D+02  0.152523D+02  0.361840D+01
               116           117           118           119           120 
      1  -0.800562D+00  0.255119D+01 -0.937706D-01 -0.129110D+02  0.140234D+02
      2   0.163263D+00 -0.783725D+01  0.937425D+01  0.201512D+01 -0.133484D+02
      3   0.637299D+00  0.528606D+01 -0.928048D+01  0.108959D+02 -0.674962D+00
      4  -0.245348D+02  0.190466D+02 -0.110739D+02  0.100535D+02 -0.797211D+01
      5   0.181788D+02 -0.227908D+02  0.220729D+02 -0.474886D+01 -0.227326D+02
      6   0.145478D+02 -0.983603D+01 -0.224535D+01 -0.138923D+00  0.320403D+01
               121           122           123           124           125 
      1  -0.238287D+02  0.393223D+01 -0.694970D+01  0.266937D+02 -0.123947D+02
      2   0.557580D+01  0.138759D+02  0.439416D+01 -0.215015D+02  0.637583D+01
      3   0.182529D+02 -0.178081D+02  0.255554D+01 -0.519213D+01  0.601883D+01
      4   0.339661D+02 -0.485522D+02 -0.135381D+02 -0.904302D+01 -0.141536D+01
      5   0.473842D+01 -0.107759D+02 -0.916020D+01 -0.285942D+02 -0.159051D+01
      6  -0.615573D+01  0.133831D+02  0.131764D+02  0.408056D+01  0.757921D+01
               126           127           128           129           130 
      1  -0.289226D+02  0.584674D+00  0.119431D+01 -0.316116D+01  0.280806D+01
      2   0.198623D+02 -0.122219D+01  0.176399D+00 -0.151972D+01 -0.221991D+01
      3   0.906028D+01  0.637518D+00 -0.137071D+01  0.468088D+01 -0.588149D+00
      4  -0.707636D+00 -0.685254D+01  0.682113D+01 -0.445723D+01  0.797121D+01
      5   0.304947D+02  0.443846D+01 -0.414956D+01  0.544531D+01 -0.435962D+01
      6   0.115756D+01 -0.456661D+01  0.486490D+01 -0.439097D+01  0.591966D+01
               131           132           133           134           135 
      1  -0.155980D+02  0.128008D+02 -0.486008D+00  0.913888D+01 -0.112976D+02
      2   0.115150D+02 -0.351538D+01 -0.105344D+01 -0.482212D+01  0.887008D+00
      3   0.408304D+01 -0.928539D+01  0.153945D+01 -0.431675D+01  0.104106D+02
      4  -0.111643D+02  0.641468D+01 -0.715782D+01  0.881373D+01 -0.686230D+01
      5   0.469602D+01 -0.469919D+01  0.550838D+01 -0.489729D+01  0.747999D+01
      6  -0.165034D+02  0.140371D+02 -0.555002D+01  0.123717D+02 -0.126045D+02
               136           137           138           139           140 
      1   0.433408D+01 -0.235223D+01  0.389085D+00 -0.291764D+01 -0.123863D+02
      2   0.787290D+00  0.536171D+01 -0.509813D+00  0.568884D+01  0.172637D+02
      3  -0.512137D+01 -0.300948D+01  0.120728D+00 -0.277120D+01 -0.487739D+01
      4   0.858252D+01  0.803649D+01 -0.182928D+01  0.101052D+02  0.129763D+02
      5  -0.558293D+01 -0.324761D+01  0.360927D+01 -0.588616D+01 -0.690122D+01
      6  -0.178922D+01 -0.220724D+01  0.250301D+01 -0.456206D+01 -0.869463D+01
               141           142           143           144           145 
      1   0.467903D+01  0.140658D+01  0.538849D+01 -0.334642D+01 -0.287034D+01
      2  -0.320000D+01 -0.192552D+01 -0.572460D+01  0.191637D+01  0.335551D+01
      3  -0.147903D+01  0.518939D+00  0.336110D+00  0.143005D+01 -0.485164D+00
      4  -0.345124D+01 -0.303964D+01 -0.303477D+01  0.258164D+01 -0.813356D+01
      5   0.561202D+01  0.325189D+01  0.306398D+01 -0.285126D+01  0.484720D+01
      6   0.664388D+01  0.268692D+01  0.519624D+01 -0.368088D+01 -0.632837D+01
               146           147           148           149           150 
      1   0.474406D+01 -0.431716D+01  0.620284D+01 -0.231414D+02  0.146075D+02
      2  -0.505673D+01  0.192788D+01 -0.701292D+01  0.260313D+02 -0.108223D+02
      3   0.312668D+00  0.238928D+01  0.810087D+00 -0.288989D+01 -0.378527D+01
      4   0.928809D+01 -0.596059D+01  0.895415D+01 -0.128291D+02  0.658686D+01
      5  -0.405586D+01  0.503016D+01 -0.403196D+01  0.335879D+01 -0.365234D+01
      6   0.661568D+01 -0.616577D+01  0.698249D+01 -0.197798D+02  0.156425D+02
               151           152           153           154           155 
      1  -0.452694D+01  0.146791D+02 -0.118820D+02  0.265743D+01 -0.407770D+01
      2   0.472310D+01 -0.142868D+02  0.682573D+01  0.658502D+01  0.130928D+02
      3  -0.196153D+00 -0.392299D+00  0.505630D+01 -0.924244D+01 -0.901508D+01
      4  -0.696342D+01  0.961084D+01 -0.672202D+01  0.152309D+02  0.158790D+02
      5   0.406888D+01 -0.370130D+01  0.473735D+01 -0.541134D+01 -0.368185D+01
      6  -0.578340D+01  0.140574D+02 -0.128648D+02 -0.144618D+01 -0.857997D+00
               156           157           158           159           160 
      1  -0.959453D+00 -0.143382D+01 -0.170964D+02  0.335429D+01  0.377564D+01
      2  -0.697908D+00  0.115415D+02  0.323418D+02 -0.507272D+01 -0.404759D+01
      3   0.165736D+01 -0.101077D+02 -0.152454D+02  0.171843D+01  0.271948D+00
      4  -0.283274D+01  0.175049D+02  0.244528D+02 -0.524783D+01 -0.307920D+01
      5   0.364174D+01 -0.662822D+01 -0.724261D+01  0.537849D+01  0.217402D+01
      6   0.286357D+01 -0.402862D+01 -0.748424D+01  0.667914D+01  0.271549D+01
               161           162           163           164           165 
      1   0.696488D+01 -0.305526D+01  0.136278D+02  0.737951D+01  0.367445D+00
      2  -0.100059D+02  0.324133D+01 -0.325262D+01 -0.213600D+01 -0.824773D+00
      3   0.304098D+01 -0.186071D+00 -0.103752D+02 -0.524351D+01  0.457328D+00
      4  -0.478252D+01  0.369481D+01  0.153490D+02  0.180369D+02  0.684632D+01
      5   0.383061D+01 -0.229555D+01  0.487584D+01  0.783992D+01  0.865952D+01
      6   0.511692D+01 -0.326367D+01  0.536321D+01  0.463762D+01  0.281816D+01
               166           167           168           169           170 
      1   0.143156D+02 -0.753351D+01 -0.301320D+01 -0.733936D+01 -0.125566D+01
      2  -0.235406D+01  0.178915D+02  0.283614D+01  0.251981D+01  0.553543D+00
      3  -0.119616D+02 -0.103580D+02  0.177058D+00  0.481956D+01  0.702112D+00
      4   0.261088D+02  0.503450D+02  0.185260D+02  0.495001D+01  0.690753D+01
      5   0.133801D+02  0.179864D+02  0.134906D+02  0.725658D+01  0.705245D+01
      6   0.999069D+01  0.225302D+02  0.136090D+02  0.309052D+01  0.869641D+01
               171           172           173           174           175 
      1  -0.240991D+01  0.570605D+01 -0.361878D+01  0.569176D+01 -0.133523D+02
      2  -0.845596D+00 -0.735841D+01  0.230762D+01 -0.497599D+01  0.107971D+02
      3   0.325550D+01  0.165236D+01  0.131116D+01 -0.715769D+00  0.255516D+01
      4   0.756730D+01 -0.479472D+01  0.488940D+01 -0.595268D+00  0.669959D+01
      5   0.983127D+01  0.922348D+01 -0.156138D+01  0.142083D+02 -0.813927D+01
      6   0.541764D+01 -0.205742D+01  0.106643D+01 -0.354070D-01  0.275833D+01
               176           177           178           179           180 
      1  -0.141135D+01  0.586740D+01  0.570740D+01  0.242996D+01 -0.174100D+02
      2  -0.140037D+01  0.685379D+01 -0.117274D+02  0.331314D+01 -0.234024D+02
      3   0.281173D+01 -0.127212D+02  0.601998D+01 -0.574310D+01  0.408124D+02
      4  -0.341290D+01  0.908072D+01 -0.142668D+01  0.802333D+01 -0.751440D+01
      5   0.945169D+01 -0.198738D+02  0.228138D+02 -0.751696D+01  0.532043D+02
      6  -0.326063D+01  0.684570D+01 -0.981637D+00  0.648972D+01 -0.226539D+01
               181           182           183           184           185 
      1   0.117469D+03  0.115926D+02  0.366547D+02  0.166933D+02  0.128153D+02
      2  -0.627835D+02 -0.726175D+01 -0.205393D+02 -0.851261D+01 -0.491654D+01
      3  -0.546854D+02 -0.433087D+01 -0.161154D+02 -0.818069D+01 -0.789875D+01
      4   0.102282D+02  0.149420D+02  0.162040D+01  0.190857D+02  0.950488D+00
      5   0.424809D+02  0.236093D+01  0.278698D+02  0.253993D+01  0.636924D+01
      6   0.125994D+01  0.123151D+01  0.958600D+00  0.312846D+01  0.122640D+01
               186           187           188           189           190 
      1   0.246000D+01  0.459476D+02  0.163297D+01  0.246093D+02  0.478271D+00
      2  -0.109110D+01 -0.272616D+02 -0.149849D+01 -0.178855D+02  0.844176D+00
      3  -0.136890D+01 -0.186860D+02 -0.134484D+00 -0.672377D+01 -0.132245D+01
      4   0.636292D+01  0.500256D+00  0.603354D+01  0.575292D+01 -0.819587D+01
      5   0.670535D+01  0.328554D+02  0.645339D+01  0.237596D+02  0.361442D+01
      6   0.320880D+01  0.827823D+00  0.237912D+01  0.856278D+00 -0.172023D+01
               191           192           193           194           195 
      1  -0.887370D+01  0.375390D+01 -0.697763D+01 -0.807895D+01  0.736379D+01
      2   0.442326D+01 -0.250284D+01  0.165171D+01  0.147187D+02 -0.981210D+01
      3   0.445043D+01 -0.125107D+01  0.532592D+01 -0.663975D+01  0.244831D+01
      4   0.644389D+01 -0.184073D+01  0.102481D+02 -0.232436D+02  0.160579D+02
      5  -0.123919D+01  0.521666D+01 -0.279173D+01  0.163467D+02 -0.186839D+02
      6  -0.344535D+00 -0.264090D+00  0.129710D+01 -0.128877D+02  0.154647D+02
               196           197           198           199           200 
      1   0.839081D+01  0.936523D+01 -0.110841D+02 -0.389472D+02 -0.119343D+02
      2  -0.292638D+01 -0.137410D+02  0.544245D+01  0.208489D+02  0.122476D+02
      3  -0.546443D+01  0.437576D+01  0.564164D+01  0.180983D+02 -0.313270D+00
      4  -0.965617D+01  0.299543D+02 -0.259621D+02  0.112105D+02 -0.898517D+01
      5   0.871037D+01 -0.259796D+02  0.414351D+02 -0.733036D+01 -0.144686D+01
      6  -0.353927D+01  0.182604D+02 -0.248545D+02  0.740405D+01  0.366602D+01
               201           202           203           204           205 
      1  -0.153804D+02 -0.815254D+01 -0.831193D+01 -0.251308D+01 -0.185052D+02
      2   0.751673D+01  0.657865D+01  0.794261D+01  0.294141D+01  0.882153D+01
      3   0.786363D+01  0.157389D+01  0.369328D+00 -0.428331D+00  0.968369D+01
      4   0.302147D+01  0.206064D+01 -0.300912D+01 -0.432382D-01  0.578515D+01
      5  -0.760177D+01 -0.262715D+00 -0.127585D+01 -0.435638D+01 -0.212831D+01
      6   0.725310D+01  0.233459D+01  0.197198D+01  0.508868D+01  0.376718D+01
               206           207           208           209           210 
      1  -0.527910D+01 -0.126833D+02  0.536078D+02 -0.238805D+02 -0.195183D+02
      2   0.537202D+01  0.625848D+01 -0.191134D+02  0.200806D+01  0.862690D+01
      3  -0.929201D-01  0.642485D+01 -0.344943D+02  0.218725D+02  0.108914D+02
      4  -0.560908D+01 -0.442335D+01 -0.472893D+02  0.389344D+02  0.172969D+02
      5  -0.728111D+01 -0.550777D+01 -0.263960D+02  0.131700D+02  0.203913D+02
      6   0.680902D+01  0.483639D+01  0.112084D+02 -0.710911D+01 -0.887398D+01
               211           212           213           214           215 
      1  -0.178903D+02  0.133848D+02  0.525288D+01 -0.270220D+02  0.107237D+02
      2   0.589357D+00  0.342428D+01  0.701155D+00  0.106769D+02  0.566434D+00
      3   0.173009D+02 -0.168090D+02 -0.595403D+01  0.163451D+02 -0.112901D+02
      4   0.318829D+02 -0.297667D+02 -0.123341D+02  0.272805D+02 -0.243683D+02
      5   0.108357D+02 -0.109030D+02 -0.112792D+02  0.237021D+02 -0.179272D+02
      6  -0.658996D+01  0.719600D+01  0.824645D+01 -0.101871D+02  0.107337D+02
               216           217           218           219           220 
      1   0.117941D+02 -0.418193D+02 -0.298338D+01 -0.206204D+02 -0.496276D+01
      2  -0.508317D+01  0.150670D+02  0.125938D+01  0.147281D+01  0.304259D+01
      3  -0.671096D+01  0.267523D+02  0.172400D+01  0.191476D+02  0.192018D+01
      4  -0.204419D+02 -0.724266D+01 -0.589454D+01  0.671259D+00  0.697639D+00
      5  -0.193490D+02  0.245364D+01  0.274279D+01 -0.112966D+02  0.128753D+01
      6   0.902563D+01  0.879438D+00  0.367527D+01 -0.154518D+01  0.138039D+01
               221           222           223           224           225 
      1  -0.426120D+01 -0.178649D+01 -0.216310D+02  0.197686D+00 -0.167223D+02
      2   0.368063D+01 -0.126161D+01  0.615171D+01 -0.126927D+01 -0.201270D+01
      3   0.580577D+00  0.304810D+01  0.154793D+02  0.107159D+01  0.187350D+02
      4   0.492440D+01 -0.239103D+01 -0.182362D+01 -0.340306D+01 -0.209462D+01
      5  -0.194885D+01 -0.536854D+01  0.185643D+01 -0.653500D+00 -0.129734D+02
      6  -0.723037D+00  0.303115D+01 -0.107010D+01  0.288549D+01 -0.120769D+01
               226           227           228           229           230 
      1   0.934085D+01  0.993166D+01 -0.581661D+01  0.164872D+02  0.251788D+01
      2  -0.340335D+01 -0.185024D+01  0.352362D+01 -0.343728D+01  0.210247D+02
      3  -0.593750D+01 -0.808142D+01  0.229300D+01 -0.130499D+02 -0.235426D+02
      4   0.128923D+02  0.170884D+02 -0.870876D+00  0.261315D+02  0.750785D+02
      5  -0.707678D+01 -0.182357D+01  0.588683D+01 -0.768069D+01 -0.102918D+02
      6  -0.161727D+01 -0.262083D+01  0.895473D+00 -0.548359D+01 -0.184132D+02
               231           232           233           234           235 
      1   0.536077D+00 -0.762217D+00  0.283833D+01 -0.518057D+00  0.653560D+02
      2   0.153686D+01  0.150770D+01  0.574636D+00  0.721237D+00 -0.440541D+02
      3  -0.207294D+01 -0.745486D+00 -0.341297D+01 -0.203180D+00 -0.213019D+02
      4  -0.852851D+01  0.199344D+01  0.500843D+01  0.502231D+01 -0.636868D+01
      5   0.124312D+02  0.444531D+01  0.490176D+01  0.352797D-01 -0.539994D+02
      6   0.776596D+01  0.848896D+00  0.558537D+01 -0.491842D+00  0.216604D+01
               236           237           238           239           240 
      1  -0.867451D+01 -0.340744D+02 -0.226303D+02  0.978187D+01  0.106101D+02
      2   0.643130D+01  0.275919D+02  0.155645D+02 -0.465779D+01 -0.104409D+02
      3   0.224321D+01  0.648248D+01  0.706586D+01 -0.512408D+01 -0.169182D+00
      4   0.145367D+02  0.292623D+01  0.139196D+02 -0.509001D+01 -0.753138D+01
      5   0.639192D+01  0.417166D+02  0.200293D+02 -0.942204D+01 -0.205828D+02
      6  -0.521054D+01 -0.898820D+00 -0.530860D+01  0.304130D+01  0.427352D+01
               241           242           243           244           245 
      1  -0.340367D+02  0.334534D+01  0.216184D+02  0.226217D+01 -0.684031D+01
      2   0.280270D+02 -0.421854D+01 -0.253499D+02 -0.609310D+00  0.329376D+01
      3   0.600975D+01  0.873205D+00  0.373145D+01 -0.165286D+01  0.354654D+01
      4   0.307196D+01 -0.659175D+01 -0.539786D+01 -0.108130D+02  0.883623D+01
      5   0.432274D+02 -0.763773D+01 -0.425838D+02  0.548682D+01 -0.452615D+01
      6  -0.148100D+01  0.413257D+01  0.152871D+01 -0.605546D+01  0.292960D+01
               246           247           248           249           250 
      1   0.729556D+00 -0.102001D+02 -0.526515D+01  0.490095D+01 -0.171693D+00
      2  -0.106483D+01  0.418038D+01  0.762805D+01 -0.105210D+01 -0.172565D+01
      3   0.335271D+00  0.601969D+01 -0.236289D+01 -0.384885D+01  0.189734D+01
      4  -0.409807D+01  0.128112D+02 -0.282113D+02  0.130562D+02 -0.519861D+01
      5   0.786605D+01 -0.664238D+01  0.132879D+02 -0.138245D+02  0.116079D+02
      6  -0.181970D+01  0.491853D+01 -0.159109D+02  0.102770D+02 -0.333196D+01
               251           252           253           254           255 
      1   0.220276D+01 -0.317633D+01 -0.285298D+02 -0.113123D+02 -0.441695D+02
      2   0.942149D+00 -0.361286D+01  0.337935D+02  0.106481D+02  0.135742D+02
      3  -0.314491D+01  0.678918D+01 -0.526371D+01  0.664235D+00  0.305952D+02
      4   0.132675D+02 -0.968500D+01 -0.176779D+02  0.283731D+01 -0.127636D+02
      5  -0.930896D+01  0.151869D+02 -0.549221D+02 -0.855668D+01 -0.144232D+02
      6   0.106090D+02 -0.799218D+01 -0.113121D+02  0.137209D+01  0.983275D-01
               256           257           258           259           260 
      1  -0.152979D+01  0.338942D+01 -0.138272D+02 -0.372172D+02 -0.123852D+02
      2   0.350136D+01 -0.196176D+02  0.965448D+01  0.101816D+02  0.145992D+02
      3  -0.197157D+01  0.162282D+02  0.417268D+01  0.270357D+02 -0.221397D+01
      4   0.113484D+02 -0.813713D+01  0.171169D+02 -0.612812D+01  0.165992D+02
      5   0.135060D+01  0.210481D+02  0.849638D+01 -0.294753D+01  0.283992D+01
      6   0.947840D+01  0.321848D+01  0.164689D+02  0.555769D+01  0.124760D+02
               261           262           263           264           265 
      1   0.109243D+02  0.390550D+02 -0.999348D+01 -0.241763D+02  0.463776D+01
      2   0.472330D+01 -0.253204D+02  0.563096D+01  0.176552D+02 -0.562673D+01
      3  -0.156476D+02 -0.137345D+02  0.436252D+01  0.652114D+01  0.988971D+00
      4   0.812415D+01 -0.183212D+02  0.125988D+02  0.115620D+02  0.546700D+01
      5   0.216057D+01 -0.352181D+02  0.101560D+02  0.308435D+02 -0.523071D+01
      6   0.307929D+01  0.634032D+01 -0.327160D+01 -0.562322D+01 -0.198133D+01
               266           267           268           269           270 
      1   0.156617D+01 -0.443676D+01 -0.310816D+02  0.757600D+01  0.221965D+02
      2  -0.136958D+00  0.530934D+01  0.247385D+02 -0.527422D+01 -0.246221D+02
      3  -0.142921D+01 -0.872581D+00  0.634307D+01 -0.230178D+01  0.242559D+01
      4  -0.631038D+01 -0.410964D+01  0.173668D+02 -0.153630D+02 -0.173493D+02
      5  -0.415313D+01  0.466822D+01  0.440233D+02 -0.151953D+02 -0.507589D+02
      6   0.219816D+01  0.292232D+01 -0.772869D+01  0.633614D+01  0.103708D+02
               271           272           273           274           275 
      1   0.799841D+00  0.716431D+01  0.385100D+01  0.820732D+01 -0.170741D+02
      2   0.105528D+01 -0.663246D+01 -0.574347D-01 -0.488458D+01  0.346174D+02
      3  -0.185512D+01 -0.531848D+00 -0.379356D+01 -0.332274D+01 -0.175432D+02
      4   0.361951D+01  0.199370D+00  0.779122D+00  0.653038D+01  0.289058D+02
      5   0.249939D+01  0.251337D+01  0.991736D+00  0.565374D+01 -0.485492D+01
      6   0.145889D+01 -0.211797D+01 -0.140878D+01  0.796539D+00  0.143731D+02
               276           277           278           279           280 
      1  -0.618564D+00 -0.188194D+01  0.514083D+01 -0.216060D+01  0.649934D+02
      2  -0.656683D+01  0.230947D+01 -0.107345D+02  0.414998D+01 -0.462665D+02
      3   0.718539D+01 -0.427536D+00  0.559368D+01 -0.198938D+01 -0.187269D+02
      4  -0.176062D+01 -0.199990D+01 -0.106239D+02  0.717783D+00  0.271169D+02
      5   0.876737D+01 -0.155453D+01  0.207377D+01 -0.740661D+01  0.632618D+02
      6   0.417996D+01 -0.144879D+01 -0.222529D+01 -0.284026D+01  0.122784D+02
               281           282           283           284           285 
      1   0.674925D+01  0.218021D+02  0.102079D+01  0.464511D+01  0.143623D+01
      2  -0.354331D+01 -0.230461D+02  0.106509D+01 -0.456336D+00 -0.196386D+00
      3  -0.320594D+01  0.124400D+01 -0.208588D+01 -0.418878D+01 -0.123984D+01
      4   0.157921D+02  0.137013D+02  0.116470D+02  0.621443D+01  0.459413D+01
      5   0.123509D+02  0.402123D+02  0.286001D+01  0.573960D+01  0.977241D+00
      6   0.923341D+01  0.970081D+01  0.615339D+01  0.302635D+01  0.375369D+01
               286           287           288           289           290 
      1   0.170942D+02  0.193643D+01  0.724059D+01 -0.138800D+02  0.529511D+01
      2  -0.179487D+02 -0.263096D+01 -0.155134D+02 -0.158138D+01 -0.293258D+01
      3   0.854445D+00  0.694534D+00  0.827276D+01  0.154614D+02 -0.236253D+01
      4   0.982243D+01  0.487278D+01  0.639211D+01 -0.305670D+01 -0.291902D+01
      5   0.320936D+02  0.616746D+01  0.268483D+02  0.546339D+00 -0.126209D+01
      6   0.649324D+01  0.439838D+01  0.693242D+01  0.326463D+01 -0.602897D+01
               291           292           293           294           295 
      1   0.266345D+02 -0.160579D+01 -0.551377D+01  0.250884D+01  0.181827D+02
      2   0.265410D+01  0.203231D+00  0.253095D+01  0.219848D+01 -0.171016D+01
      3  -0.292886D+02  0.140256D+01  0.298281D+01 -0.470731D+01 -0.164725D+02
      4   0.255158D+01 -0.664444D+00 -0.237988D+00  0.387016D+00  0.480130D+01
      5  -0.389668D+01 -0.866393D+00 -0.157841D+01 -0.395323D+01  0.533044D+01
      6  -0.756015D+01 -0.298747D+01  0.580558D+00  0.455005D+01 -0.274288D+01
               296           297 
      1  -0.391057D+01 -0.346219D+02
      2   0.321848D+00 -0.121245D+02
      3   0.358872D+01  0.467463D+02
      4   0.215757D+01 -0.196055D+01
      5   0.232377D+01  0.170810D+02
      6   0.710850D+01  0.116733D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 13 17:22:39 2021, MaxMem=  6442450944 cpu:          152263.6 elap:           19036.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94205 -18.88734 -10.14047 -10.03550 -10.02722
 Alpha  occ. eigenvalues --  -10.02092 -10.01574 -10.01443 -10.01234 -10.01218
 Alpha  occ. eigenvalues --  -10.01176 -10.00695 -10.00385  -9.99246  -9.99211
 Alpha  occ. eigenvalues --   -1.16152  -1.07238  -0.93242  -0.88829  -0.86279
 Alpha  occ. eigenvalues --   -0.81380  -0.80955  -0.75346  -0.74934  -0.74053
 Alpha  occ. eigenvalues --   -0.68375  -0.67622  -0.64305  -0.62739  -0.58550
 Alpha  occ. eigenvalues --   -0.57809  -0.55659  -0.54866  -0.53679  -0.52887
 Alpha  occ. eigenvalues --   -0.51876  -0.50563  -0.49990  -0.49349  -0.48807
 Alpha  occ. eigenvalues --   -0.48188  -0.46534  -0.45080  -0.44689  -0.44290
 Alpha  occ. eigenvalues --   -0.43743  -0.42807  -0.41536  -0.40430  -0.40261
 Alpha  occ. eigenvalues --   -0.40159  -0.39711  -0.38308  -0.35349  -0.33554
 Alpha  occ. eigenvalues --   -0.31712
 Alpha virt. eigenvalues --    0.02431   0.03002   0.03221   0.03804   0.03963
 Alpha virt. eigenvalues --    0.04049   0.04467   0.04770   0.05175   0.05856
 Alpha virt. eigenvalues --    0.06029   0.06517   0.06811   0.06995   0.07303
 Alpha virt. eigenvalues --    0.08072   0.08619   0.09017   0.09226   0.09757
 Alpha virt. eigenvalues --    0.10184   0.10584   0.11007   0.11365   0.11956
 Alpha virt. eigenvalues --    0.12338   0.12504   0.13047   0.13205   0.13474
 Alpha virt. eigenvalues --    0.14107   0.14385   0.14653   0.14935   0.15329
 Alpha virt. eigenvalues --    0.15437   0.15974   0.16189   0.16387   0.16598
 Alpha virt. eigenvalues --    0.16844   0.17443   0.17562   0.17614   0.18256
 Alpha virt. eigenvalues --    0.18846   0.19281   0.19598   0.19859   0.20175
 Alpha virt. eigenvalues --    0.20391   0.20570   0.20901   0.21258   0.21672
 Alpha virt. eigenvalues --    0.21805   0.22115   0.22699   0.22919   0.23260
 Alpha virt. eigenvalues --    0.23591   0.24079   0.24299   0.24451   0.25206
 Alpha virt. eigenvalues --    0.25857   0.26173   0.26536   0.26913   0.27086
 Alpha virt. eigenvalues --    0.27384   0.27954   0.28186   0.28484   0.28596
 Alpha virt. eigenvalues --    0.29126   0.29328   0.29732   0.30037   0.30221
 Alpha virt. eigenvalues --    0.30864   0.31195   0.31445   0.31983   0.32238
 Alpha virt. eigenvalues --    0.32627   0.32960   0.33293   0.33907   0.34183
 Alpha virt. eigenvalues --    0.34637   0.34859   0.35629   0.35758   0.36262
 Alpha virt. eigenvalues --    0.36328   0.37054   0.37580   0.38159   0.38418
 Alpha virt. eigenvalues --    0.38875   0.39377   0.39737   0.39971   0.40693
 Alpha virt. eigenvalues --    0.41005   0.41073   0.41452   0.42288   0.42461
 Alpha virt. eigenvalues --    0.42875   0.43270   0.43555   0.43808   0.44275
 Alpha virt. eigenvalues --    0.44527   0.44918   0.45346   0.45886   0.46210
 Alpha virt. eigenvalues --    0.46469   0.46831   0.47216   0.47970   0.48074
 Alpha virt. eigenvalues --    0.48622   0.48741   0.48972   0.49894   0.50273
 Alpha virt. eigenvalues --    0.51159   0.51402   0.52295   0.52668   0.53216
 Alpha virt. eigenvalues --    0.53361   0.54102   0.54447   0.54908   0.55373
 Alpha virt. eigenvalues --    0.55590   0.55957   0.56724   0.57099   0.57332
 Alpha virt. eigenvalues --    0.58184   0.58433   0.58992   0.59385   0.59793
 Alpha virt. eigenvalues --    0.60417   0.60700   0.61145   0.61623   0.62306
 Alpha virt. eigenvalues --    0.62429   0.63091   0.63765   0.64219   0.64543
 Alpha virt. eigenvalues --    0.64715   0.64974   0.65559   0.65798   0.66308
 Alpha virt. eigenvalues --    0.66494   0.66806   0.67345   0.67922   0.68208
 Alpha virt. eigenvalues --    0.68517   0.68734   0.69452   0.69890   0.70037
 Alpha virt. eigenvalues --    0.70229   0.70979   0.71295   0.71993   0.72130
 Alpha virt. eigenvalues --    0.72607   0.73300   0.73478   0.73867   0.74375
 Alpha virt. eigenvalues --    0.74533   0.74726   0.75440   0.75968   0.76270
 Alpha virt. eigenvalues --    0.76626   0.77018   0.77571   0.78581   0.79096
 Alpha virt. eigenvalues --    0.79715   0.80334   0.80476   0.81021   0.81437
 Alpha virt. eigenvalues --    0.81838   0.82301   0.83342   0.83776   0.84020
 Alpha virt. eigenvalues --    0.84183   0.84715   0.85372   0.85610   0.85936
 Alpha virt. eigenvalues --    0.87084   0.87443   0.88480   0.88899   0.89346
 Alpha virt. eigenvalues --    0.90075   0.90625   0.91480   0.91704   0.91885
 Alpha virt. eigenvalues --    0.93062   0.93934   0.93990   0.94645   0.95969
 Alpha virt. eigenvalues --    0.96513   0.96719   0.98237   0.98623   0.99636
 Alpha virt. eigenvalues --    1.00345   1.01094   1.02402   1.02706   1.03299
 Alpha virt. eigenvalues --    1.03547   1.05268   1.05920   1.06604   1.07901
 Alpha virt. eigenvalues --    1.08188   1.08392   1.09889   1.11765   1.11953
 Alpha virt. eigenvalues --    1.12790   1.13034   1.13419   1.14341   1.14992
 Alpha virt. eigenvalues --    1.15861   1.16894   1.17045   1.19023   1.19587
 Alpha virt. eigenvalues --    1.21410   1.21755   1.22488   1.23573   1.24207
 Alpha virt. eigenvalues --    1.24819   1.25330   1.25445   1.27439   1.27986
 Alpha virt. eigenvalues --    1.30021   1.31458   1.32606   1.35029   1.36515
 Alpha virt. eigenvalues --    1.37257   1.38907   1.39136   1.40322   1.41860
 Alpha virt. eigenvalues --    1.42615   1.43962   1.44439   1.44841   1.45777
 Alpha virt. eigenvalues --    1.46534   1.47796   1.47887   1.51007   1.51308
 Alpha virt. eigenvalues --    1.51858   1.52480   1.53606   1.54435   1.55171
 Alpha virt. eigenvalues --    1.55478   1.56965   1.57771   1.58486   1.59700
 Alpha virt. eigenvalues --    1.59811   1.60663   1.61460   1.62108   1.62888
 Alpha virt. eigenvalues --    1.64345   1.65442   1.65980   1.66350   1.67045
 Alpha virt. eigenvalues --    1.68806   1.69956   1.70880   1.71386   1.71845
 Alpha virt. eigenvalues --    1.73224   1.73752   1.74422   1.74866   1.75258
 Alpha virt. eigenvalues --    1.76650   1.77626   1.78226   1.78748   1.79375
 Alpha virt. eigenvalues --    1.79924   1.81189   1.81661   1.84102   1.84860
 Alpha virt. eigenvalues --    1.85198   1.85949   1.86705   1.86937   1.87658
 Alpha virt. eigenvalues --    1.89266   1.89847   1.90923   1.91310   1.92259
 Alpha virt. eigenvalues --    1.93178   1.94327   1.94961   1.95391   1.95696
 Alpha virt. eigenvalues --    1.95875   1.96826   1.97830   1.98299   1.98900
 Alpha virt. eigenvalues --    2.00300   2.00412   2.01502   2.03148   2.04082
 Alpha virt. eigenvalues --    2.05061   2.06018   2.07050   2.07541   2.09165
 Alpha virt. eigenvalues --    2.09764   2.10964   2.11792   2.12139   2.12882
 Alpha virt. eigenvalues --    2.14255   2.15345   2.16140   2.16530   2.18212
 Alpha virt. eigenvalues --    2.19491   2.19837   2.20118   2.20510   2.21551
 Alpha virt. eigenvalues --    2.22531   2.23310   2.24949   2.25494   2.25878
 Alpha virt. eigenvalues --    2.26852   2.28661   2.30881   2.31106   2.33019
 Alpha virt. eigenvalues --    2.33465   2.34552   2.35020   2.35664   2.35875
 Alpha virt. eigenvalues --    2.36598   2.37065   2.37352   2.38757   2.39769
 Alpha virt. eigenvalues --    2.41490   2.42962   2.47714   2.48759   2.49985
 Alpha virt. eigenvalues --    2.50835   2.52238   2.53427   2.53783   2.56789
 Alpha virt. eigenvalues --    2.57071   2.57674   2.58866   2.60274   2.62508
 Alpha virt. eigenvalues --    2.65412   2.66718   2.67066   2.68902   2.71484
 Alpha virt. eigenvalues --    2.73009   2.74132   2.75190   2.77472   2.78350
 Alpha virt. eigenvalues --    2.81375   2.83363   2.84280   2.85941   2.86822
 Alpha virt. eigenvalues --    2.90049   2.90913   2.93191   2.95040   2.97437
 Alpha virt. eigenvalues --    2.98366   3.06774   3.12086   3.12607   3.14867
 Alpha virt. eigenvalues --    3.20983   3.27278   3.28463   3.36557   3.38227
 Alpha virt. eigenvalues --    3.40179   3.45915   3.46399   3.49135   3.50755
 Alpha virt. eigenvalues --    3.54675   3.56285   3.66432   3.69400   3.74102
 Alpha virt. eigenvalues --    3.75233   3.85879   3.93531   4.04460   4.84290
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   31.330844  -7.913214  -5.129060  -1.928928   1.087508  -9.202130
     2  C   -7.913214  24.771824  -1.026509  -3.959823  -3.387940  -2.875525
     3  C   -5.129060  -1.026509  33.695025  -6.772634 -11.410280   0.316118
     4  C   -1.928928  -3.959823  -6.772634  28.747926  -3.774913  -3.680596
     5  C    1.087508  -3.387940 -11.410280  -3.774913  26.539188  -1.562389
     6  C   -9.202130  -2.875525   0.316118  -3.680596  -1.562389  24.686109
     7  C    0.127903  -2.410864  -0.422574  -0.235915  -0.791687   0.115660
     8  C    0.110541   0.256306   0.157071  -0.068957   0.232755  -0.185796
     9  C   -0.017839  -0.046879  -0.124750   0.049996  -0.003250  -0.183066
    10  C   -0.110153  -0.260398   0.022088   0.021553  -0.207101   0.139183
    11  C   -0.033532  -0.104506   0.136906  -5.822569   0.171478  -0.347379
    12  C    0.135988   0.135689  -0.765606   0.787584  -0.233697  -0.312499
    13  O   -0.062663  -0.003514   0.129483  -0.072347  -0.004595   0.013212
    14  O   -0.049662   0.004572   0.075501   0.001998   0.003289   0.033092
    15  H   -4.199782   2.689989   0.569908  -1.089562  -0.261973   1.108281
    16  H    1.040576  -0.950288  -4.512492   2.106728   1.018018  -0.320883
    17  H   -0.550269   0.229151   0.623453   0.758311  -2.707303   0.649008
    18  H    0.370752   0.496791  -0.407667   0.391844   0.738331  -2.466416
    19  H   -0.590709  -0.331724  -0.199370   0.006320   0.513405   0.467949
    20  H    0.849398  -0.440695   0.477958   0.147589  -0.351504  -0.549911
    21  H   -0.102324   0.006965  -0.008118   0.000974   0.031918   0.081067
    22  H    0.173787  -0.039438   0.085099   0.033935  -0.011915  -0.030894
    23  H    0.022882   0.142244  -0.124189  -0.013411   0.047750  -0.045954
    24  H   -0.118740   0.005308   0.027557  -0.017913  -0.000974   0.028929
    25  H   -0.071493   0.045199   0.035448   0.039567  -0.139755   0.125764
    26  H    0.006328   0.045585   0.016107   0.002962   0.056733   0.057838
    27  H    0.046114  -0.002403  -0.013036  -0.009022  -0.001352  -0.078877
    28  H   -0.035073   0.014073  -0.118605   0.712308  -0.091396  -0.067451
    29  C    0.026704  -0.036185  -0.382834  -0.882130   0.317175  -0.088402
    30  H    0.010227   0.002155  -0.019813   0.024216  -0.006867  -0.007130
    31  H   -0.041448  -0.009072  -0.210722  -0.161173   0.137444  -0.008549
    32  H   -0.004814   0.039386   0.083038   0.935552  -0.223958  -0.008018
    33  H   -0.015585  -0.039109   0.077515  -0.689774   0.143674   0.031196
               7          8          9         10         11         12
     1  C    0.127903   0.110541  -0.017839  -0.110153  -0.033532   0.135988
     2  C   -2.410864   0.256306  -0.046879  -0.260398  -0.104506   0.135689
     3  C   -0.422574   0.157071  -0.124750   0.022088   0.136906  -0.765606
     4  C   -0.235915  -0.068957   0.049996   0.021553  -5.822569   0.787584
     5  C   -0.791687   0.232755  -0.003250  -0.207101   0.171478  -0.233697
     6  C    0.115660  -0.185796  -0.183066   0.139183  -0.347379  -0.312499
     7  C   10.806687  -0.991265   0.192022   0.264971  -0.360657   0.007908
     8  C   -0.991265   8.452225  -0.379588  -0.356673   0.042335  -0.005853
     9  C    0.192022  -0.379588   5.190991  -0.328162  -0.021139   0.004966
    10  C    0.264971  -0.356673  -0.328162   5.212166  -0.015642  -0.000764
    11  C   -0.360657   0.042335  -0.021139  -0.015642  15.883844  -2.816749
    12  C    0.007908  -0.005853   0.004966  -0.000764  -2.816749   8.494753
    13  O   -0.001269  -0.000117   0.000036   0.000064   0.132014  -0.118344
    14  O    0.000606   0.000212  -0.000204  -0.000020   0.101504  -0.324774
    15  H   -0.326732   0.028098   0.000559   0.005090   0.035302   0.000580
    16  H    0.155432  -0.018129   0.016359   0.001389  -0.237590   0.164169
    17  H    0.176948  -0.029124   0.000068   0.025590  -0.219757  -0.042454
    18  H   -0.587574   0.069499   0.021033  -0.084047   0.165690   0.003235
    19  H   -0.295532   0.137843   0.019807   0.005456  -0.010696   0.000846
    20  H   -0.530265   0.127725  -0.023980   0.014470  -0.007223  -0.000577
    21  H    0.064089  -1.203622   0.141894   0.119293   0.002734  -0.000152
    22  H   -0.214753   0.309887  -0.207225  -0.008770  -0.001624  -0.000062
    23  H   -0.171818  -0.045969   0.524285  -0.228852   0.012453  -0.000608
    24  H    0.095373   0.016768   0.091876   0.123523  -0.001614   0.000498
    25  H   -0.151843  -0.058843  -0.231558   0.522953  -0.009309   0.001580
    26  H   -0.180018   0.287984  -0.009418  -0.184335   0.000026   0.000421
    27  H    0.077145   0.042458   0.111987   0.088618  -0.000038  -0.000322
    28  H   -0.015738   0.002474  -0.000165  -0.001687  -1.650290   0.263466
    29  C   -0.049246  -0.000495  -0.002191   0.000823   0.730243  -0.096897
    30  H    0.000187  -0.000107   0.000068   0.000023   0.031960  -0.074060
    31  H   -0.006070  -0.000606  -0.000281   0.000591  -0.284775   0.042653
    32  H    0.001792  -0.000037  -0.000170  -0.000059  -0.513596   0.021368
    33  H   -0.011898   0.002885   0.000118  -0.000878   0.642294  -0.101254
              13         14         15         16         17         18
     1  C   -0.062663  -0.049662  -4.199782   1.040576  -0.550269   0.370752
     2  C   -0.003514   0.004572   2.689989  -0.950288   0.229151   0.496791
     3  C    0.129483   0.075501   0.569908  -4.512492   0.623453  -0.407667
     4  C   -0.072347   0.001998  -1.089562   2.106728   0.758311   0.391844
     5  C   -0.004595   0.003289  -0.261973   1.018018  -2.707303   0.738331
     6  C    0.013212   0.033092   1.108281  -0.320883   0.649008  -2.466416
     7  C   -0.001269   0.000606  -0.326732   0.155432   0.176948  -0.587574
     8  C   -0.000117   0.000212   0.028098  -0.018129  -0.029124   0.069499
     9  C    0.000036  -0.000204   0.000559   0.016359   0.000068   0.021033
    10  C    0.000064  -0.000020   0.005090   0.001389   0.025590  -0.084047
    11  C    0.132014   0.101504   0.035302  -0.237590  -0.219757   0.165690
    12  C   -0.118344  -0.324774   0.000580   0.164169  -0.042454   0.003235
    13  O    8.484108   0.007032  -0.001399  -0.039185   0.005007  -0.000130
    14  O    0.007032   8.377447  -0.000614  -0.017678   0.012632   0.000011
    15  H   -0.001399  -0.000614   4.149541  -0.483624  -0.024641   0.012226
    16  H   -0.039185  -0.017678  -0.483624   4.263382   0.003183  -0.021128
    17  H    0.005007   0.012632  -0.024641   0.003183   3.707022  -0.455891
    18  H   -0.000130   0.000011   0.012226  -0.021128  -0.455891   3.866443
    19  H   -0.000045  -0.000151   0.015135   0.001547   0.015759  -0.093400
    20  H   -0.000027   0.000104  -0.094133   0.005451  -0.003135   0.023705
    21  H   -0.000019   0.000015   0.014115  -0.001437  -0.002998   0.018870
    22  H    0.000036   0.000010  -0.008923  -0.002515   0.001297  -0.005149
    23  H   -0.000066   0.000090  -0.021439   0.000040  -0.000708   0.013635
    24  H   -0.000003  -0.000023   0.009956   0.001400  -0.000781   0.001120
    25  H   -0.000085   0.000056   0.019101  -0.002710   0.000985  -0.027440
    26  H    0.000016   0.000006  -0.010360   0.002498   0.005430  -0.031649
    27  H    0.000002  -0.000004   0.001422  -0.000964   0.000635   0.011427
    28  H   -0.004446  -0.040011   0.005784  -0.027057  -0.205899   0.009397
    29  C    0.005628   0.001807   0.006336   0.020431   0.019274   0.006469
    30  H   -0.037974   0.265094  -0.000095   0.002912  -0.000798  -0.000151
    31  H    0.014156  -0.011080   0.004804  -0.080323   0.008020  -0.001736
    32  H    0.003289   0.003917  -0.000987   0.012463   0.001364   0.000660
    33  H    0.018811   0.006925  -0.004909   0.016578  -0.006547   0.003213
              19         20         21         22         23         24
     1  C   -0.590709   0.849398  -0.102324   0.173787   0.022882  -0.118740
     2  C   -0.331724  -0.440695   0.006965  -0.039438   0.142244   0.005308
     3  C   -0.199370   0.477958  -0.008118   0.085099  -0.124189   0.027557
     4  C    0.006320   0.147589   0.000974   0.033935  -0.013411  -0.017913
     5  C    0.513405  -0.351504   0.031918  -0.011915   0.047750  -0.000974
     6  C    0.467949  -0.549911   0.081067  -0.030894  -0.045954   0.028929
     7  C   -0.295532  -0.530265   0.064089  -0.214753  -0.171818   0.095373
     8  C    0.137843   0.127725  -1.203622   0.309887  -0.045969   0.016768
     9  C    0.019807  -0.023980   0.141894  -0.207225   0.524285   0.091876
    10  C    0.005456   0.014470   0.119293  -0.008770  -0.228852   0.123523
    11  C   -0.010696  -0.007223   0.002734  -0.001624   0.012453  -0.001614
    12  C    0.000846  -0.000577  -0.000152  -0.000062  -0.000608   0.000498
    13  O   -0.000045  -0.000027  -0.000019   0.000036  -0.000066  -0.000003
    14  O   -0.000151   0.000104   0.000015   0.000010   0.000090  -0.000023
    15  H    0.015135  -0.094133   0.014115  -0.008923  -0.021439   0.009956
    16  H    0.001547   0.005451  -0.001437  -0.002515   0.000040   0.001400
    17  H    0.015759  -0.003135  -0.002998   0.001297  -0.000708  -0.000781
    18  H   -0.093400   0.023705   0.018870  -0.005149   0.013635   0.001120
    19  H    2.438149  -0.629154  -0.024843   0.027290   0.017833  -0.016780
    20  H   -0.629154   2.462969  -0.022651  -0.011303  -0.022674   0.024629
    21  H   -0.024843  -0.022651   2.494345  -0.092195   0.110041  -0.066022
    22  H    0.027290  -0.011303  -0.092195   2.048084  -0.306502  -0.530157
    23  H    0.017833  -0.022674   0.110041  -0.306502   1.806483  -0.557712
    24  H   -0.016780   0.024629  -0.066022  -0.530157  -0.557712   2.192281
    25  H   -0.020991   0.016426   0.114225  -0.004782  -0.020222  -0.000052
    26  H   -0.006811   0.027023  -0.095010  -0.014698  -0.003003   0.031820
    27  H    0.024244  -0.017122  -0.068428   0.031362  -0.002336  -0.040294
    28  H   -0.001378  -0.000007   0.000333  -0.000214  -0.000168   0.000144
    29  C   -0.000170  -0.001304  -0.000224   0.001416  -0.002039  -0.000298
    30  H    0.000103  -0.000090  -0.000007   0.000003  -0.000029   0.000005
    31  H    0.000085  -0.000294  -0.000090   0.000453  -0.001657  -0.000166
    32  H    0.000115   0.000121   0.000009   0.000082   0.000081  -0.000007
    33  H   -0.000392  -0.000247  -0.000062   0.000151  -0.000138  -0.000250
              25         26         27         28         29         30
     1  C   -0.071493   0.006328   0.046114  -0.035073   0.026704   0.010227
     2  C    0.045199   0.045585  -0.002403   0.014073  -0.036185   0.002155
     3  C    0.035448   0.016107  -0.013036  -0.118605  -0.382834  -0.019813
     4  C    0.039567   0.002962  -0.009022   0.712308  -0.882130   0.024216
     5  C   -0.139755   0.056733  -0.001352  -0.091396   0.317175  -0.006867
     6  C    0.125764   0.057838  -0.078877  -0.067451  -0.088402  -0.007130
     7  C   -0.151843  -0.180018   0.077145  -0.015738  -0.049246   0.000187
     8  C   -0.058843   0.287984   0.042458   0.002474  -0.000495  -0.000107
     9  C   -0.231558  -0.009418   0.111987  -0.000165  -0.002191   0.000068
    10  C    0.522953  -0.184335   0.088618  -0.001687   0.000823   0.000023
    11  C   -0.009309   0.000026  -0.000038  -1.650290   0.730243   0.031960
    12  C    0.001580   0.000421  -0.000322   0.263466  -0.096897  -0.074060
    13  O   -0.000085   0.000016   0.000002  -0.004446   0.005628  -0.037974
    14  O    0.000056   0.000006  -0.000004  -0.040011   0.001807   0.265094
    15  H    0.019101  -0.010360   0.001422   0.005784   0.006336  -0.000095
    16  H   -0.002710   0.002498  -0.000964  -0.027057   0.020431   0.002912
    17  H    0.000985   0.005430   0.000635  -0.205899   0.019274  -0.000798
    18  H   -0.027440  -0.031649   0.011427   0.009397   0.006469  -0.000151
    19  H   -0.020991  -0.006811   0.024244  -0.001378  -0.000170   0.000103
    20  H    0.016426   0.027023  -0.017122  -0.000007  -0.001304  -0.000090
    21  H    0.114225  -0.095010  -0.068428   0.000333  -0.000224  -0.000007
    22  H   -0.004782  -0.014698   0.031362  -0.000214   0.001416   0.000003
    23  H   -0.020222  -0.003003  -0.002336  -0.000168  -0.002039  -0.000029
    24  H   -0.000052   0.031820  -0.040294   0.000144  -0.000298   0.000005
    25  H    1.822134  -0.312072  -0.561530   0.000694  -0.001953   0.000001
    26  H   -0.312072   2.059559  -0.531575  -0.000604   0.000303   0.000005
    27  H   -0.561530  -0.531575   2.185255   0.000022   0.000417  -0.000000
    28  H    0.000694  -0.000604   0.000022   2.743011   0.031949   0.009642
    29  C   -0.001953   0.000303   0.000417   0.031949   4.908145   0.010119
    30  H    0.000001   0.000005  -0.000000   0.009642   0.010119   0.611538
    31  H    0.000159  -0.000141   0.000120   0.091222   0.611008   0.003195
    32  H    0.000480   0.000055  -0.000009   0.012198  -0.315344   0.000379
    33  H   -0.002955   0.000271  -0.000042  -0.024700   0.105177  -0.000675
              31         32         33
     1  C   -0.041448  -0.004814  -0.015585
     2  C   -0.009072   0.039386  -0.039109
     3  C   -0.210722   0.083038   0.077515
     4  C   -0.161173   0.935552  -0.689774
     5  C    0.137444  -0.223958   0.143674
     6  C   -0.008549  -0.008018   0.031196
     7  C   -0.006070   0.001792  -0.011898
     8  C   -0.000606  -0.000037   0.002885
     9  C   -0.000281  -0.000170   0.000118
    10  C    0.000591  -0.000059  -0.000878
    11  C   -0.284775  -0.513596   0.642294
    12  C    0.042653   0.021368  -0.101254
    13  O    0.014156   0.003289   0.018811
    14  O   -0.011080   0.003917   0.006925
    15  H    0.004804  -0.000987  -0.004909
    16  H   -0.080323   0.012463   0.016578
    17  H    0.008020   0.001364  -0.006547
    18  H   -0.001736   0.000660   0.003213
    19  H    0.000085   0.000115  -0.000392
    20  H   -0.000294   0.000121  -0.000247
    21  H   -0.000090   0.000009  -0.000062
    22  H    0.000453   0.000082   0.000151
    23  H   -0.001657   0.000081  -0.000138
    24  H   -0.000166  -0.000007  -0.000250
    25  H    0.000159   0.000480  -0.002955
    26  H   -0.000141   0.000055   0.000271
    27  H    0.000120  -0.000009  -0.000042
    28  H    0.091222   0.012198  -0.024700
    29  C    0.611008  -0.315344   0.105177
    30  H    0.003195   0.000379  -0.000675
    31  H    1.781607  -0.360314  -0.335836
    32  H   -0.360314   1.959016  -0.385730
    33  H   -0.335836  -0.385730   1.779926
 Mulliken charges:
               1
     1  C    0.837866
     2  C    0.952850
     3  C    1.119985
     4  C    0.410302
     5  C    0.134183
     6  C    0.168461
     7  C    1.668998
     8  C   -0.931885
     9  C    1.213800
    10  C    1.219695
    11  C    0.369904
    12  C    0.828970
    13  O   -0.466667
    14  O   -0.451697
    15  H   -1.147055
    16  H   -1.116553
    17  H   -0.992834
    18  H   -1.041974
    19  H   -0.469739
    20  H   -0.471274
    21  H   -0.512686
    22  H   -0.221770
    23  H   -0.128326
    24  H   -0.299400
    25  H   -0.127177
    26  H   -0.221273
    27  H   -0.293875
    28  H   -0.611826
    29  C    1.056287
    30  H    0.175962
    31  H   -0.181183
    32  H   -0.262321
    33  H   -0.207750
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.309189
     2  C    0.952850
     3  C    0.003432
     4  C    0.410302
     5  C   -0.858651
     6  C   -0.873512
     7  C    0.727986
     8  C   -1.444570
     9  C    0.564304
    10  C    0.577370
    11  C   -0.241923
    12  C    0.828970
    13  O   -0.466667
    14  O   -0.275735
    29  C    0.405033
 Electronic spatial extent (au):  <R**2>=           4408.2710
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1536    Y=             -1.2477    Z=              0.4105  Tot=              1.7482
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -89.0821   YY=            -93.2628   ZZ=            -89.6284
   XY=             -5.5140   XZ=              2.4068   YZ=              0.0778
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5757   YY=             -2.6051   ZZ=              1.0294
   XY=             -5.5140   XZ=              2.4068   YZ=              0.0778
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.2138  YYY=             -5.3236  ZZZ=            -11.1704  XYY=             -3.0378
  XXY=            -32.3519  XXZ=             -9.7229  XZZ=             23.5966  YZZ=             -2.4155
  YYZ=              0.8150  XYZ=             11.6017
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4572.3466 YYYY=           -669.3374 ZZZZ=           -593.4615 XXXY=           -154.7703
 XXXZ=            -71.1756 YYYX=              7.7895 YYYZ=            -11.2014 ZZZX=            -36.2178
 ZZZY=              7.1395 XXYY=           -934.5259 XXZZ=           -813.0336 YYZZ=           -206.9520
 XXYZ=             65.3336 YYXZ=              0.8769 ZZXY=            -32.7529
 N-N= 9.813510194734D+02 E-N=-3.488608901971D+03  KE= 6.517166342384D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 13 17:22:41 2021, MaxMem=  6442450944 cpu:               6.4 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.50097753D-01-5.00508118D-01 1.46420811D-01
 Polarizability= 2.00170733D+02 5.59379819D+00 1.44712840D+02
                 7.08171403D+00-8.33210072D+00 1.30555475D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.6434   -3.6436        2.9400    2.9397
 2      3.6434    3.6436        4.2038    4.2049      -30.8746  -30.8779
 3     -2.9400   -2.9397       38.3377   38.3410       -4.2051   -4.2049
 4     -4.2038   -4.2049        0.0000    0.0000       -2.9414   -2.9397
 5     -7.4631   -7.4631        2.9414    2.9397       -3.6459   -3.6436
 6      4.2051    4.2049        3.6459    3.6436        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       10.9307   10.9307        8.8191    8.8191
 2    -12.6146  -12.6146       -0.0000    0.0000        8.8191    8.8191
 3    -12.6146  -12.6146       10.9307   10.9307        0.0000    0.0000
 4     10.9307   10.9307       12.6146   12.6146      -92.6337  -92.6337
 5     -8.8191   -8.8191      115.0229  115.0229      -12.6146  -12.6146
 6    -22.3892  -22.3892        8.8191    8.8191      -10.9307  -10.9307
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0318    0.0000       14.7872   14.5743      -11.7965  -11.7588
 2    -14.5680  -14.5743      -16.7754  -16.8195      123.4169  123.5115
 3     11.7792   11.7588     -153.4168 -153.3638       16.7929   16.8195
 4     16.8426   16.8195        0.0065    0.0000       11.7206   11.7588
 5     29.9415   29.8523      -11.7897  -11.7588       14.4818   14.5743
 6    -16.8430  -16.8195      -14.5155  -14.5743        0.0154    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0007    0.0000      -36.4391  -36.3111        7.5895    7.5464
 2     36.3644   36.3111        0.4475    0.3679       -6.3971   -6.4762
 3     -7.5648   -7.5464      -54.9170  -54.6507       -0.3616   -0.3679
 4     -0.3491   -0.3679        0.0525    0.0000       -7.4632   -7.5464
 5     61.1877   61.1269        7.5505    7.5464      -36.3049  -36.3111
 6      0.3648    0.3679       36.4551   36.3111        0.0881    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -26.7739  -26.7388       -1.2375   -1.3920      -10.7869  -10.9035
 2    -14.4722  -14.4457      -17.6045  -17.6453      -10.7784  -10.9035
 3    -14.4976  -14.4457       -1.3376   -1.3920      -46.0005  -46.1475
 4     16.2719   16.2533      -12.1588  -12.2932      -40.6498  -40.7703
 5    -35.2722  -35.2440      -57.6089  -57.6931       12.4035   12.2932
 6     98.4535   98.4635       35.0300   35.2440      -16.3768  -16.2533
 Full mass-weighted force constant matrix:
 Low frequencies ---   -1.4258   -0.0005   -0.0002    0.0009    3.0505    6.3961
 Low frequencies ---   24.3732   38.9708   49.6399
 Diagonal vibrational polarizability:
       39.0913618      10.5427820      24.2879651
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.3636                38.9700                49.6342
 Red. masses --      4.0405                 7.6098                 3.6306
 Frc consts  --      0.0014                 0.0068                 0.0053
 IR Inten    --      0.1630                 1.5795                 0.2838
 RamAct Fr= 1--      0.4733                 1.2430                 2.1785
  Dep-P Fr= 1--      0.7365                 0.7490                 0.7326
  Dep-U Fr= 1--      0.8483                 0.8565                 0.8457
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0006
 Beta2  Fr= 1--      0.0669                 0.1774                 0.3071
 AlphaG Fr= 1--     -0.0005                 0.0008                 0.0009
 Gamma2 Fr= 1--     -0.1946                -0.9926                 0.8293
 Delta2 Fr= 1--     -0.1842                -0.3044                -0.2860
 Raman1 Fr= 1--       1.893                  4.972                  8.714
 ROA1   Fr= 1--     -24.578               -105.030                 70.464
 CID1   Fr= 1--     -12.982                -21.124                  8.086
 Raman2 Fr= 1--       0.803                  2.129                  3.685
 ROA2   Fr= 1--      -3.198                -21.387                 22.192
 CID2   Fr= 1--      -3.982                -10.044                  6.023
 Raman3 Fr= 1--       1.606                  4.259                  7.369
 ROA3   Fr= 1--     -24.578               -105.030                 70.464
 CID3   Fr= 1--     -15.303                -24.663                  9.562
 RC180  Fr= 1--       0.697                  0.713                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10  -0.03    -0.02  -0.02  -0.06     0.03  -0.09  -0.17
     2   6    -0.01  -0.08   0.02    -0.03  -0.00  -0.05    -0.01  -0.02  -0.05
     3   6     0.01  -0.10  -0.05    -0.01  -0.04  -0.08     0.03  -0.09  -0.18
     4   6     0.00  -0.08  -0.02    -0.02  -0.05  -0.08    -0.01  -0.01  -0.06
     5   6    -0.01  -0.06   0.03    -0.03  -0.04  -0.09    -0.05   0.05   0.05
     6   6    -0.02  -0.05   0.05    -0.04  -0.02  -0.08    -0.05   0.04   0.06
     7   6    -0.02  -0.07   0.05    -0.05   0.05   0.00    -0.03   0.02  -0.00
     8   6     0.01   0.05   0.01     0.01   0.06   0.07     0.02   0.03   0.05
     9   6     0.04   0.06  -0.16     0.08   0.05   0.11     0.17  -0.00   0.18
    10   6     0.04   0.19   0.08     0.03   0.02   0.05    -0.06  -0.08  -0.02
    11   6     0.00  -0.07  -0.02    -0.04  -0.05  -0.03    -0.03   0.03  -0.01
    12   6    -0.00   0.08  -0.01     0.01   0.01   0.02     0.02   0.02   0.03
    13   8    -0.03   0.14   0.10    -0.28   0.04  -0.16     0.12   0.02   0.11
    14   8     0.03   0.14  -0.13     0.43   0.01   0.29    -0.04   0.03  -0.02
    15   1     0.01  -0.12  -0.06    -0.01  -0.00  -0.05     0.06  -0.14  -0.25
    16   1     0.02  -0.12  -0.08     0.00  -0.05  -0.08     0.06  -0.13  -0.26
    17   1    -0.01  -0.04   0.06    -0.04  -0.05  -0.09    -0.08   0.10   0.14
    18   1    -0.03  -0.03   0.10    -0.05  -0.01  -0.07    -0.08   0.09   0.15
    19   1    -0.06  -0.08   0.15    -0.10   0.06  -0.01    -0.07   0.03  -0.01
    20   1    -0.02  -0.16   0.01    -0.08   0.08   0.02    -0.05   0.04   0.01
    21   1    -0.00   0.01   0.05    -0.02   0.12   0.10     0.01   0.17   0.02
    22   1     0.02  -0.04  -0.21     0.06   0.08   0.13     0.23   0.08   0.23
    23   1     0.05   0.10  -0.20     0.11  -0.01   0.08     0.19  -0.15   0.21
    24   1     0.06   0.14  -0.19     0.12   0.06   0.15     0.21   0.02   0.22
    25   1     0.06   0.24   0.04     0.06  -0.03   0.02    -0.06  -0.22   0.01
    26   1     0.02   0.19   0.21    -0.01   0.03   0.02    -0.17  -0.06  -0.11
    27   1     0.07   0.27   0.06     0.07   0.04   0.09    -0.03  -0.06   0.01
    28   1     0.05  -0.11  -0.11    -0.04  -0.05  -0.03    -0.03   0.04   0.01
    29   6    -0.05  -0.15   0.08    -0.10  -0.05  -0.01    -0.11   0.05  -0.03
    30   1     0.03   0.24  -0.12     0.43   0.03   0.30     0.01   0.03   0.02
    31   1    -0.11  -0.12   0.17    -0.08  -0.05  -0.01    -0.12   0.03  -0.05
    32   1    -0.05  -0.13   0.08    -0.12  -0.05   0.06    -0.13   0.09   0.01
    33   1    -0.04  -0.26   0.08    -0.15  -0.07  -0.05    -0.14   0.04  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     56.3903                86.2246               102.5193
 Red. masses --      3.8167                 3.6635                 3.9609
 Frc consts  --      0.0072                 0.0160                 0.0245
 IR Inten    --      0.4883                 0.0549                 0.1244
 RamAct Fr= 1--      1.1365                 2.1059                 3.1884
  Dep-P Fr= 1--      0.7024                 0.6765                 0.6754
  Dep-U Fr= 1--      0.8252                 0.8071                 0.8063
 Alpha2 Fr= 1--      0.0009                 0.0027                 0.0042
 Beta2  Fr= 1--      0.1563                 0.2833                 0.4285
 AlphaG Fr= 1--      0.0013                -0.0025                 0.0035
 Gamma2 Fr= 1--     -0.1505                -0.9386                 0.8715
 Delta2 Fr= 1--      0.2033                -0.1348                 0.4502
 Raman1 Fr= 1--       4.546                  8.424                 12.754
 ROA1   Fr= 1--      -7.942                -94.415                 98.074
 CID1   Fr= 1--      -1.747                -11.208                  7.690
 Raman2 Fr= 1--       1.876                  3.399                  5.141
 ROA2   Fr= 1--      -5.238                -21.447                 17.316
 CID2   Fr= 1--      -2.793                 -6.310                  3.368
 Raman3 Fr= 1--       3.751                  6.798                 10.283
 ROA3   Fr= 1--      -7.942                -94.415                 98.074
 CID3   Fr= 1--      -2.117                -13.888                  9.538
 RC180  Fr= 1--       0.650                  0.614                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02    -0.02  -0.03   0.06     0.08  -0.01  -0.12
     2   6    -0.02  -0.03  -0.08     0.03  -0.09  -0.02     0.04   0.03  -0.09
     3   6    -0.05   0.03  -0.01    -0.05   0.01   0.11     0.05  -0.01  -0.04
     4   6    -0.03  -0.00  -0.06    -0.02  -0.01   0.07    -0.03   0.03   0.07
     5   6     0.01  -0.06  -0.15     0.04  -0.08  -0.03    -0.07   0.08   0.11
     6   6     0.02  -0.07  -0.17     0.05  -0.11  -0.07    -0.04   0.07   0.03
     7   6    -0.04  -0.01  -0.00     0.03  -0.06  -0.01     0.05   0.05  -0.09
     8   6     0.04  -0.01   0.09     0.09   0.06  -0.03     0.08  -0.04   0.01
     9   6    -0.02   0.01  -0.01     0.28   0.03   0.02     0.01  -0.03   0.01
    10   6     0.23   0.06   0.14    -0.03   0.04  -0.05     0.26  -0.05   0.01
    11   6    -0.06   0.04   0.01    -0.02   0.04   0.05    -0.03  -0.02   0.07
    12   6     0.01  -0.01   0.06    -0.09   0.02  -0.01    -0.11  -0.01   0.01
    13   8     0.13  -0.04   0.11    -0.14   0.02  -0.06    -0.19  -0.00  -0.05
    14   8    -0.07  -0.03   0.06    -0.13   0.01  -0.01    -0.12  -0.01  -0.01
    15   1    -0.07   0.04   0.03    -0.04  -0.01   0.10     0.14  -0.05  -0.19
    16   1    -0.08   0.07   0.05    -0.08   0.06   0.18     0.10  -0.06  -0.07
    17   1     0.04  -0.08  -0.20     0.07  -0.10  -0.08    -0.13   0.11   0.19
    18   1     0.05  -0.10  -0.22     0.09  -0.16  -0.14    -0.08   0.11   0.05
    19   1    -0.06  -0.00   0.01    -0.04  -0.05   0.06     0.05   0.06  -0.17
    20   1    -0.11   0.01   0.01     0.04  -0.11  -0.04     0.02   0.14  -0.05
    21   1    -0.01  -0.08   0.21     0.08   0.20  -0.05     0.05  -0.10   0.10
    22   1    -0.16  -0.04  -0.04     0.43   0.06   0.03    -0.16  -0.02   0.01
    23   1     0.03   0.08  -0.13     0.27  -0.11   0.10     0.06   0.02  -0.12
    24   1     0.03   0.00   0.06     0.29   0.13  -0.03     0.06  -0.09   0.12
    25   1     0.29   0.15   0.02    -0.00  -0.13  -0.05     0.28   0.07  -0.04
    26   1     0.29   0.05   0.22    -0.21   0.07  -0.08     0.39  -0.08   0.02
    27   1     0.28   0.05   0.20     0.04   0.15  -0.03     0.25  -0.16   0.06
    28   1    -0.08   0.07   0.07     0.02   0.07   0.08    -0.03  -0.04   0.03
    29   6    -0.13   0.09  -0.03    -0.01   0.09  -0.00     0.04  -0.05   0.09
    30   1    -0.01  -0.07   0.09    -0.19  -0.00  -0.06    -0.20  -0.00  -0.07
    31   1    -0.10   0.07  -0.09    -0.05   0.06  -0.03     0.03  -0.03   0.13
    32   1    -0.15   0.11   0.02     0.00   0.13  -0.04     0.05  -0.08   0.05
    33   1    -0.18   0.12  -0.07     0.02   0.11   0.03     0.07  -0.06   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    173.0545               210.6918               224.3845
 Red. masses --      3.2369                 2.9850                 1.1698
 Frc consts  --      0.0571                 0.0781                 0.0347
 IR Inten    --      0.1072                 0.3234                 0.2397
 RamAct Fr= 1--      0.4620                 0.2613                 0.2926
  Dep-P Fr= 1--      0.7167                 0.4198                 0.2486
  Dep-U Fr= 1--      0.8350                 0.5914                 0.3982
 Alpha2 Fr= 1--      0.0003                 0.0018                 0.0035
 Beta2  Fr= 1--      0.0643                 0.0258                 0.0194
 AlphaG Fr= 1--     -0.0019                -0.0038                 0.0007
 Gamma2 Fr= 1--      0.8096                 0.0224                 0.3110
 Delta2 Fr= 1--      0.3694                 0.1155                 0.1776
 Raman1 Fr= 1--       1.848                  1.045                  1.170
 ROA1   Fr= 1--      89.541                  5.850                 35.543
 CID1   Fr= 1--      48.454                  5.598                 30.372
 Raman2 Fr= 1--       0.772                  0.309                  0.233
 ROA2   Fr= 1--      16.475                 -0.386                  6.044
 CID2   Fr= 1--      21.354                 -1.248                 25.939
 Raman3 Fr= 1--       1.543                  0.618                  0.466
 ROA3   Fr= 1--      89.541                  5.850                 35.543
 CID3   Fr= 1--      58.030                  9.465                 76.272
 RC180  Fr= 1--       0.670                  0.183                 -0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04  -0.05     0.07  -0.00  -0.09    -0.02   0.01   0.04
     2   6    -0.05  -0.01  -0.05     0.06   0.02  -0.01    -0.01   0.00   0.02
     3   6    -0.11   0.13  -0.02     0.09   0.01  -0.11    -0.01   0.00   0.03
     4   6    -0.06   0.15  -0.02     0.07   0.04  -0.06    -0.01  -0.01   0.00
     5   6    -0.03   0.13  -0.01     0.11   0.01  -0.10    -0.02   0.00   0.03
     6   6    -0.01   0.04  -0.02     0.10   0.00  -0.07    -0.02   0.01   0.04
     7   6    -0.06  -0.12  -0.00     0.03  -0.02   0.08     0.01  -0.00  -0.01
     8   6     0.00  -0.05   0.01    -0.02  -0.01   0.04     0.01  -0.00  -0.01
     9   6     0.13  -0.06  -0.04    -0.07  -0.00   0.01     0.03  -0.01  -0.01
    10   6     0.00  -0.01   0.04    -0.12   0.03   0.06     0.03  -0.01  -0.02
    11   6    -0.04   0.02  -0.04     0.02   0.03   0.05    -0.01  -0.02  -0.01
    12   6     0.01  -0.00  -0.01    -0.02   0.01   0.03     0.00  -0.01  -0.01
    13   8     0.07  -0.02   0.01    -0.06  -0.01  -0.06    -0.00   0.00   0.01
    14   8     0.03  -0.02   0.04    -0.11  -0.02   0.05     0.02   0.01  -0.03
    15   1    -0.14   0.01  -0.06     0.06  -0.02  -0.10    -0.02   0.02   0.05
    16   1    -0.16   0.16  -0.03     0.09  -0.00  -0.14    -0.01   0.01   0.03
    17   1     0.00   0.15   0.00     0.13   0.01  -0.12    -0.02   0.00   0.03
    18   1     0.03   0.02  -0.00     0.11  -0.01  -0.07    -0.03   0.02   0.04
    19   1    -0.03  -0.15   0.12     0.06  -0.03   0.14     0.01   0.00  -0.02
    20   1    -0.13  -0.22  -0.04    -0.03  -0.07   0.06     0.03   0.01  -0.01
    21   1    -0.03   0.00   0.05     0.02  -0.04  -0.01     0.01   0.00  -0.00
    22   1     0.21  -0.10  -0.05     0.04  -0.04  -0.00     0.02  -0.00  -0.01
    23   1     0.13  -0.13  -0.01    -0.14   0.04   0.12     0.04  -0.02  -0.03
    24   1     0.15   0.03  -0.08    -0.16   0.00  -0.11     0.04   0.00   0.00
    25   1     0.06  -0.11  -0.03    -0.14  -0.01   0.11     0.03   0.01  -0.02
    26   1    -0.14   0.01   0.08    -0.19   0.04   0.09     0.06  -0.02  -0.02
    27   1     0.10   0.12   0.08    -0.13   0.10   0.01     0.03  -0.04  -0.01
    28   1    -0.13  -0.05  -0.13    -0.02   0.00   0.01    -0.01  -0.01   0.00
    29   6     0.15  -0.13   0.10    -0.04  -0.04   0.14    -0.03   0.01  -0.04
    30   1     0.09  -0.05   0.08    -0.21  -0.08  -0.04     0.02   0.04  -0.03
    31   1     0.30  -0.03   0.23     0.29   0.02   0.13     0.50   0.02  -0.21
    32   1     0.16  -0.35   0.09    -0.15  -0.26   0.44    -0.19  -0.30   0.39
    33   1     0.15  -0.12   0.10    -0.29   0.05  -0.07    -0.42   0.31  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    239.9932               247.0869               267.3892
 Red. masses --      2.3220                 1.2055                 1.0597
 Frc consts  --      0.0788                 0.0434                 0.0446
 IR Inten    --      0.4739                 0.3846                 0.2657
 RamAct Fr= 1--      1.9080                 0.3441                 0.5282
  Dep-P Fr= 1--      0.2627                 0.4975                 0.2320
  Dep-U Fr= 1--      0.4161                 0.6645                 0.3766
 Alpha2 Fr= 1--      0.0218                 0.0017                 0.0066
 Beta2  Fr= 1--      0.1323                 0.0381                 0.0332
 AlphaG Fr= 1--      0.0165                -0.0125                -0.0000
 Gamma2 Fr= 1--     -1.0842                 0.0111                 0.0058
 Delta2 Fr= 1--     -0.3365                 0.1739                -0.0063
 Raman1 Fr= 1--       7.632                  1.376                  2.113
 ROA1   Fr= 1--    -114.847                  6.632                  0.356
 CID1   Fr= 1--     -15.048                  4.819                  0.168
 Raman2 Fr= 1--       1.588                  0.457                  0.398
 ROA2   Fr= 1--     -23.328                 -1.125                  0.191
 CID2   Fr= 1--     -14.694                 -2.460                  0.479
 Raman3 Fr= 1--       3.175                  0.914                  0.796
 ROA3   Fr= 1--    -114.847                  6.632                  0.356
 CID3   Fr= 1--     -36.170                  7.253                  0.447
 RC180  Fr= 1--      -0.168                  0.329                 -0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.07    -0.02   0.01   0.02    -0.00  -0.00  -0.01
     2   6    -0.02  -0.07  -0.06     0.00  -0.00   0.02     0.00  -0.01  -0.02
     3   6    -0.01  -0.05  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.01   0.00   0.05     0.01   0.01  -0.02    -0.01   0.00   0.00
     5   6    -0.01  -0.04  -0.02     0.02   0.01  -0.01    -0.01   0.00  -0.00
     6   6     0.01  -0.07  -0.07     0.01   0.00   0.02    -0.01  -0.00  -0.01
     7   6    -0.05   0.02  -0.01     0.01  -0.01   0.01     0.00  -0.01  -0.00
     8   6    -0.03   0.04   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     9   6    -0.05   0.04   0.04     0.05  -0.00  -0.01     0.01  -0.01   0.02
    10   6    -0.06   0.03   0.00    -0.03   0.00  -0.01     0.01   0.02   0.01
    11   6     0.01   0.02   0.05    -0.00   0.01  -0.02    -0.01  -0.01  -0.00
    12   6    -0.01   0.01   0.03     0.01   0.01  -0.01    -0.01  -0.01   0.00
    13   8    -0.02   0.03   0.07     0.02  -0.01  -0.04    -0.01   0.00   0.02
    14   8     0.01   0.03   0.01    -0.01  -0.01   0.01     0.01   0.00  -0.00
    15   1     0.02  -0.11  -0.10    -0.03   0.00   0.02    -0.01  -0.00  -0.01
    16   1    -0.03  -0.04  -0.02    -0.02   0.03   0.00    -0.01   0.00   0.00
    17   1    -0.01  -0.04  -0.02     0.04   0.01  -0.02    -0.01   0.00   0.00
    18   1     0.03  -0.09  -0.08     0.02   0.00   0.03    -0.01  -0.00  -0.01
    19   1    -0.11   0.04  -0.04     0.01  -0.01   0.02    -0.00  -0.01   0.00
    20   1    -0.04   0.05   0.00     0.02  -0.03   0.00    -0.01  -0.01  -0.00
    21   1    -0.03   0.05   0.00     0.01   0.02  -0.02     0.02  -0.01  -0.01
    22   1    -0.36   0.10   0.07    -0.29   0.04   0.01     0.42  -0.03   0.01
    23   1     0.08   0.06  -0.21     0.23  -0.03  -0.32    -0.17  -0.04   0.39
    24   1     0.10  -0.04   0.30     0.26  -0.03   0.30    -0.20   0.05  -0.31
    25   1    -0.12   0.14   0.09    -0.19   0.33   0.19    -0.13   0.37   0.17
    26   1     0.09   0.00  -0.02     0.37  -0.06  -0.03     0.41  -0.05   0.03
    27   1    -0.17  -0.08  -0.07    -0.30  -0.27  -0.19    -0.25  -0.24  -0.15
    28   1    -0.00   0.02   0.06    -0.00   0.00  -0.04    -0.02  -0.01   0.00
    29   6     0.22   0.06  -0.03    -0.06  -0.03   0.04     0.02   0.00  -0.02
    30   1     0.02   0.06   0.02    -0.02  -0.04   0.01     0.02   0.02   0.01
    31   1     0.45   0.06  -0.11    -0.11  -0.01   0.09     0.03  -0.00  -0.03
    32   1     0.23  -0.15  -0.04    -0.07   0.00   0.05     0.03  -0.01  -0.04
    33   1     0.20   0.29  -0.01    -0.06  -0.11   0.02     0.04   0.03  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    280.3685               339.0597               356.4922
 Red. masses --      3.4970                 3.9325                 3.0102
 Frc consts  --      0.1620                 0.2664                 0.2254
 IR Inten    --      0.9761                 1.2175                 0.5534
 RamAct Fr= 1--      0.3258                 1.9029                 2.4798
  Dep-P Fr= 1--      0.3381                 0.3838                 0.6715
  Dep-U Fr= 1--      0.5053                 0.5547                 0.8035
 Alpha2 Fr= 1--      0.0030                 0.0149                 0.0035
 Beta2  Fr= 1--      0.0274                 0.1759                 0.3321
 AlphaG Fr= 1--     -0.0007                 0.0092                -0.0006
 Gamma2 Fr= 1--     -0.6706                 0.2753                 0.6039
 Delta2 Fr= 1--     -0.2851                -0.6316                 0.2750
 Raman1 Fr= 1--       1.303                  7.612                  9.919
 ROA1   Fr= 1--     -73.501                  6.219                 66.770
 CID1   Fr= 1--     -56.400                  0.817                  6.731
 Raman2 Fr= 1--       0.329                  2.111                  3.985
 ROA2   Fr= 1--     -13.814                 11.661                 12.293
 CID2   Fr= 1--     -41.952                  5.523                  3.085
 Raman3 Fr= 1--       0.659                  4.223                  7.970
 ROA3   Fr= 1--     -73.501                  6.219                 66.770
 CID3   Fr= 1--    -111.609                  1.473                  8.378
 RC180  Fr= 1--       0.011                  0.109                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.12  -0.02    -0.08   0.00   0.04     0.01  -0.02  -0.05
     2   6     0.03   0.13  -0.04    -0.01  -0.02   0.15     0.08  -0.09  -0.10
     3   6     0.07   0.04   0.01    -0.02   0.05  -0.14    -0.04   0.10   0.06
     4   6     0.01  -0.02  -0.01     0.03   0.07  -0.14    -0.02   0.09   0.04
     5   6    -0.03   0.02  -0.04     0.12   0.05  -0.08     0.01   0.08   0.08
     6   6    -0.02   0.10  -0.06     0.07  -0.01   0.10     0.07  -0.03  -0.02
     7   6     0.02  -0.04   0.04     0.03  -0.04   0.09     0.07  -0.08  -0.04
     8   6    -0.00  -0.10   0.05     0.02   0.08  -0.04     0.07   0.00  -0.06
     9   6     0.10  -0.11  -0.07    -0.02   0.10  -0.00    -0.09   0.00   0.15
    10   6    -0.11   0.00   0.11     0.09  -0.07  -0.12    -0.03   0.13  -0.01
    11   6    -0.01  -0.09   0.04    -0.04  -0.04  -0.00    -0.02  -0.04  -0.01
    12   6    -0.03  -0.08   0.05    -0.04  -0.08   0.07    -0.00  -0.07  -0.01
    13   8    -0.12  -0.01   0.14    -0.15  -0.01   0.16    -0.03  -0.04   0.04
    14   8     0.04  -0.01  -0.07    -0.01  -0.04  -0.01     0.07  -0.03  -0.09
    15   1     0.12   0.16  -0.01    -0.19  -0.05   0.05    -0.03  -0.05  -0.06
    16   1     0.13   0.01   0.04    -0.06   0.06  -0.23    -0.07   0.14   0.11
    17   1    -0.08  -0.02  -0.05     0.23   0.09  -0.10     0.03   0.14   0.14
    18   1    -0.07   0.13  -0.10     0.13  -0.03   0.16     0.09  -0.04  -0.01
    19   1     0.16  -0.08   0.09    -0.01  -0.06   0.26     0.02  -0.09   0.08
    20   1    -0.12  -0.09   0.02     0.12  -0.22  -0.00     0.04  -0.18  -0.09
    21   1     0.00  -0.10   0.04     0.03   0.09  -0.05     0.09  -0.02  -0.10
    22   1    -0.04  -0.19  -0.12    -0.07   0.12   0.01    -0.22   0.23   0.27
    23   1     0.21  -0.14  -0.27    -0.03   0.14  -0.01    -0.11   0.04   0.17
    24   1     0.24   0.00   0.04    -0.04   0.04   0.02    -0.14  -0.27   0.28
    25   1    -0.16   0.04   0.20     0.13  -0.12  -0.17    -0.04   0.13   0.01
    26   1    -0.12  -0.00   0.20     0.15  -0.06  -0.30    -0.12   0.13   0.15
    27   1    -0.16   0.08  -0.01     0.11  -0.23   0.00    -0.01   0.30  -0.09
    28   1    -0.06  -0.06   0.11    -0.19  -0.06   0.04    -0.08  -0.04   0.01
    29   6     0.00   0.04  -0.12     0.03  -0.01  -0.07    -0.09  -0.02  -0.03
    30   1     0.01   0.11  -0.06    -0.04   0.03  -0.02     0.09   0.08  -0.05
    31   1    -0.07  -0.05  -0.26    -0.03  -0.04  -0.10    -0.15  -0.05  -0.05
    32   1     0.04   0.16  -0.21     0.08   0.02  -0.18    -0.12   0.08   0.03
    33   1     0.07   0.14  -0.05     0.12   0.02   0.02    -0.13  -0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    390.1550               406.2980               422.1183
 Red. masses --      2.5679                 1.9758                 3.4831
 Frc consts  --      0.2303                 0.1922                 0.3657
 IR Inten    --      1.6590                 0.1776                 2.8790
 RamAct Fr= 1--      1.0585                 0.7217                 2.6440
  Dep-P Fr= 1--      0.4513                 0.1010                 0.1378
  Dep-U Fr= 1--      0.6220                 0.1835                 0.2423
 Alpha2 Fr= 1--      0.0065                 0.0126                 0.0421
 Beta2  Fr= 1--      0.1097                 0.0221                 0.1068
 AlphaG Fr= 1--      0.0019                 0.0210                -0.0521
 Gamma2 Fr= 1--      0.1107                 0.2876                -0.8995
 Delta2 Fr= 1--     -0.0008                 0.1448                -0.0577
 Raman1 Fr= 1--       4.234                  2.887                 10.576
 ROA1   Fr= 1--      10.602                 32.244                -88.199
 CID1   Fr= 1--       2.504                 11.170                 -8.340
 Raman2 Fr= 1--       1.317                  0.265                  1.281
 ROA2   Fr= 1--       2.663                  5.744                -21.127
 CID2   Fr= 1--       2.022                 21.681                -16.490
 Raman3 Fr= 1--       2.633                  0.530                  2.562
 ROA3   Fr= 1--      10.602                 32.244                -88.199
 CID3   Fr= 1--       4.026                 60.857                -34.421
 RC180  Fr= 1--       0.244                 -0.633                 -0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.06    -0.01  -0.07  -0.02    -0.01   0.10   0.09
     2   6    -0.03   0.04   0.07     0.03  -0.07   0.04     0.09   0.02  -0.00
     3   6     0.02  -0.04  -0.06    -0.04   0.07   0.01     0.04  -0.05  -0.09
     4   6     0.03  -0.05  -0.08    -0.03   0.05  -0.04    -0.08  -0.05  -0.02
     5   6     0.02  -0.04  -0.06     0.05   0.00  -0.03    -0.08   0.00   0.13
     6   6    -0.03   0.03   0.06     0.02  -0.05   0.08     0.03  -0.08  -0.09
     7   6     0.02  -0.01  -0.08     0.07   0.14  -0.05     0.13  -0.02   0.04
     8   6    -0.05  -0.08  -0.13     0.05  -0.04   0.04     0.14   0.00   0.03
     9   6     0.01  -0.13   0.10     0.02  -0.03  -0.04    -0.02   0.04   0.00
    10   6     0.03   0.15  -0.02    -0.05   0.00   0.07    -0.03  -0.02   0.02
    11   6     0.00   0.00  -0.01    -0.05   0.00  -0.04    -0.11  -0.01  -0.11
    12   6    -0.01   0.04   0.02    -0.03  -0.01  -0.01    -0.09   0.08  -0.05
    13   8    -0.01   0.03   0.01    -0.02   0.00   0.04     0.04   0.06   0.02
    14   8    -0.06   0.01   0.07    -0.01  -0.01   0.01    -0.08   0.03   0.13
    15   1    -0.04   0.05   0.10    -0.07  -0.14  -0.07    -0.08   0.16   0.20
    16   1     0.03  -0.06  -0.09    -0.09   0.11   0.03     0.15  -0.14  -0.14
    17   1     0.02  -0.05  -0.08     0.14   0.03  -0.06    -0.10   0.08   0.25
    18   1    -0.04   0.04   0.08     0.03  -0.04   0.14    -0.00  -0.10  -0.25
    19   1     0.09  -0.02  -0.16    -0.00   0.22  -0.51     0.14  -0.04   0.15
    20   1     0.11   0.03  -0.06     0.19   0.55   0.14     0.07  -0.11   0.01
    21   1    -0.05  -0.07  -0.12     0.06  -0.07   0.02     0.17  -0.03  -0.03
    22   1     0.03   0.13   0.24     0.02  -0.13  -0.09    -0.14   0.01  -0.01
    23   1     0.04  -0.34   0.15     0.01   0.03  -0.06    -0.05   0.22  -0.02
    24   1     0.07  -0.23   0.25     0.01   0.02  -0.10    -0.09  -0.08   0.00
    25   1     0.09   0.30  -0.16    -0.08  -0.05   0.14    -0.09  -0.12   0.15
    26   1     0.00   0.13   0.30    -0.14   0.01   0.12    -0.11   0.00  -0.04
    27   1     0.12   0.35  -0.05    -0.06   0.11  -0.02    -0.08   0.03  -0.09
    28   1     0.01   0.00  -0.02    -0.08  -0.01  -0.05    -0.03  -0.03  -0.19
    29   6     0.05  -0.01  -0.02    -0.01  -0.03  -0.03     0.02  -0.08  -0.11
    30   1    -0.07  -0.07   0.04     0.05  -0.02   0.05     0.15  -0.14   0.25
    31   1     0.08   0.01  -0.01     0.00  -0.01  -0.01     0.11  -0.05  -0.08
    32   1     0.08  -0.06  -0.07     0.00  -0.06  -0.06     0.06  -0.21  -0.18
    33   1     0.10   0.03   0.02     0.01  -0.03  -0.02     0.07  -0.02  -0.06
                     19                     20                     21
                      A                      A                      A
 Frequencies --    422.8734               502.4175               518.1681
 Red. masses --      2.9226                 3.3780                 3.0615
 Frc consts  --      0.3079                 0.5024                 0.4843
 IR Inten    --      1.0085                 1.6552                19.6331
 RamAct Fr= 1--      0.6169                 0.4046                 0.6754
  Dep-P Fr= 1--      0.1873                 0.3503                 0.1102
  Dep-U Fr= 1--      0.3154                 0.5188                 0.1986
 Alpha2 Fr= 1--      0.0087                 0.0035                 0.0115
 Beta2  Fr= 1--      0.0324                 0.0350                 0.0224
 AlphaG Fr= 1--      0.0376                -0.0062                -0.0097
 Gamma2 Fr= 1--      0.4721                 0.0750                -0.0364
 Delta2 Fr= 1--      0.0833                 0.0436                -0.0362
 Raman1 Fr= 1--       2.468                  1.619                  2.701
 ROA1   Fr= 1--      47.992                  8.589                 -4.655
 CID1   Fr= 1--      19.447                  5.307                 -1.723
 Raman2 Fr= 1--       0.389                  0.420                  0.268
 ROA2   Fr= 1--      10.665                  1.450                 -0.585
 CID2   Fr= 1--      27.401                  3.454                 -2.180
 Raman3 Fr= 1--       0.778                  0.840                  0.536
 ROA3   Fr= 1--      47.992                  8.589                 -4.655
 CID3   Fr= 1--      61.650                 10.228                 -8.676
 RC180  Fr= 1--      -0.369                  0.038                 -0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.15     0.02   0.01  -0.06    -0.09   0.05   0.05
     2   6    -0.04  -0.04   0.01     0.01   0.11   0.17    -0.01  -0.01  -0.04
     3   6     0.04  -0.07  -0.15     0.00  -0.02  -0.06    -0.05  -0.04  -0.06
     4   6     0.04   0.05  -0.00    -0.15   0.06   0.12     0.00  -0.08  -0.12
     5   6    -0.02   0.12   0.13    -0.02  -0.09  -0.03    -0.06  -0.05  -0.07
     6   6     0.07  -0.10  -0.13    -0.01  -0.05  -0.03    -0.11   0.04   0.06
     7   6    -0.05   0.06  -0.05     0.09   0.03   0.09     0.07  -0.05  -0.07
     8   6    -0.06  -0.02   0.00    -0.00  -0.02  -0.04     0.21  -0.01   0.02
     9   6     0.03  -0.03  -0.02     0.01  -0.04   0.00    -0.01   0.04   0.01
    10   6    -0.01   0.01   0.02     0.02   0.02  -0.03    -0.02  -0.01   0.03
    11   6     0.05   0.01   0.05    -0.14   0.08   0.02    -0.00   0.06   0.07
    12   6     0.04  -0.05   0.03    -0.09  -0.04  -0.05     0.05  -0.03   0.06
    13   8    -0.03  -0.04   0.00     0.04  -0.09  -0.03    -0.00  -0.05  -0.03
    14   8     0.04  -0.02  -0.07     0.08   0.02  -0.11     0.05   0.01  -0.06
    15   1    -0.16   0.12   0.30     0.05  -0.12  -0.24    -0.15   0.11   0.17
    16   1     0.05  -0.13  -0.34     0.14  -0.17  -0.21    -0.07  -0.00   0.02
    17   1    -0.07   0.22   0.29     0.08  -0.18  -0.22    -0.11  -0.03  -0.00
    18   1     0.19  -0.22  -0.26    -0.01  -0.12  -0.26    -0.19   0.12   0.16
    19   1    -0.08   0.10  -0.27     0.18   0.01   0.10     0.04  -0.04  -0.03
    20   1     0.01   0.26   0.05     0.16  -0.01   0.07     0.03  -0.05  -0.06
    21   1    -0.07  -0.00   0.03     0.03  -0.05  -0.09     0.20  -0.00   0.04
    22   1     0.08  -0.06  -0.03     0.02   0.01   0.03    -0.16   0.02  -0.00
    23   1     0.05  -0.10  -0.03     0.03  -0.10   0.00    -0.08   0.32   0.02
    24   1     0.07   0.06  -0.03     0.04  -0.04   0.04    -0.15  -0.17  -0.02
    25   1     0.00   0.06  -0.02     0.04   0.05  -0.08    -0.14  -0.13   0.27
    26   1     0.02   0.00   0.07     0.02   0.01   0.02    -0.15   0.01  -0.00
    27   1    -0.00   0.01   0.03     0.05   0.04  -0.01    -0.12   0.10  -0.17
    28   1    -0.01   0.02   0.09    -0.14   0.10   0.05    -0.05   0.09   0.15
    29   6    -0.01   0.04   0.06    -0.01   0.07   0.09     0.04   0.10   0.12
    30   1    -0.06   0.08  -0.13     0.37   0.25   0.15    -0.17   0.16  -0.19
    31   1    -0.07   0.03   0.06     0.04   0.13   0.20     0.07   0.14   0.19
    32   1    -0.03   0.10   0.10     0.01  -0.07   0.06     0.07   0.02   0.06
    33   1    -0.03  -0.01   0.04     0.02   0.03   0.12     0.09   0.09   0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --    597.9521               627.9958               641.7787
 Red. masses --      1.6463                 2.0248                 3.4887
 Frc consts  --      0.3468                 0.4705                 0.8466
 IR Inten    --     61.7871                39.5132                20.7044
 RamAct Fr= 1--      1.8256                 0.4998                 3.1965
  Dep-P Fr= 1--      0.4038                 0.4923                 0.6449
  Dep-U Fr= 1--      0.5753                 0.6598                 0.7841
 Alpha2 Fr= 1--      0.0133                 0.0026                 0.0061
 Beta2  Fr= 1--      0.1750                 0.0550                 0.4177
 AlphaG Fr= 1--      0.0018                 0.0122                -0.0278
 Gamma2 Fr= 1--     -0.9800                 0.0881                -0.2991
 Delta2 Fr= 1--      0.0430                -0.1327                 0.1454
 Raman1 Fr= 1--       7.303                  1.999                 12.786
 ROA1   Fr= 1--     -92.708                  4.209                -24.056
 CID1   Fr= 1--     -12.695                  2.105                 -1.881
 Raman2 Fr= 1--       2.101                  0.659                  5.013
 ROA2   Fr= 1--     -23.864                  3.176                 -8.341
 CID2   Fr= 1--     -11.361                  4.816                 -1.664
 Raman3 Fr= 1--       4.201                  1.319                 10.026
 ROA3   Fr= 1--     -92.708                  4.209                -24.056
 CID3   Fr= 1--     -22.067                  3.191                 -2.400
 RC180  Fr= 1--       0.151                  0.320                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.04  -0.03   0.04     0.08  -0.06   0.09
     2   6     0.04  -0.04  -0.08    -0.10   0.03   0.05    -0.00  -0.06   0.01
     3   6     0.03  -0.02   0.01    -0.00  -0.05  -0.01     0.12   0.10  -0.02
     4   6     0.05  -0.06  -0.07     0.03   0.06   0.11     0.02   0.05  -0.04
     5   6     0.04  -0.02   0.02     0.02   0.04  -0.05    -0.06   0.09  -0.10
     6   6     0.03   0.03   0.03    -0.02   0.06  -0.00    -0.08  -0.06   0.02
     7   6    -0.03  -0.00  -0.01    -0.04  -0.04  -0.09    -0.02  -0.02  -0.01
     8   6    -0.05   0.01   0.01     0.10  -0.01   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.01  -0.00     0.01   0.02   0.01    -0.00   0.01   0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.00   0.01
    11   6    -0.03   0.06  -0.03     0.10  -0.03   0.01    -0.04  -0.13   0.14
    12   6    -0.08  -0.03  -0.05     0.01   0.01  -0.05    -0.03   0.03   0.11
    13   8    -0.02  -0.02   0.03    -0.03   0.05   0.02     0.06  -0.11  -0.13
    14   8    -0.02  -0.02  -0.05    -0.05  -0.04  -0.01    -0.06   0.17  -0.01
    15   1    -0.01   0.13   0.18     0.08  -0.11  -0.14     0.01  -0.07   0.12
    16   1    -0.01   0.06   0.17     0.02  -0.14  -0.26     0.05   0.13  -0.06
    17   1    -0.02   0.06   0.16     0.05  -0.11  -0.27    -0.02   0.14  -0.06
    18   1    -0.03   0.11   0.19     0.11  -0.07  -0.15    -0.03  -0.07   0.12
    19   1    -0.05   0.00  -0.01    -0.04  -0.05  -0.08    -0.04  -0.02   0.02
    20   1    -0.06  -0.00  -0.01    -0.02  -0.02  -0.08    -0.02  -0.05  -0.03
    21   1    -0.05   0.01   0.01     0.06   0.04   0.08    -0.01   0.01   0.02
    22   1     0.03  -0.00  -0.01    -0.08   0.02   0.01    -0.00   0.01   0.00
    23   1     0.01  -0.05  -0.01    -0.05   0.19   0.03    -0.00   0.01   0.00
    24   1     0.03   0.06   0.00    -0.09  -0.12  -0.02    -0.01   0.00  -0.00
    25   1     0.02   0.02  -0.04    -0.08  -0.07   0.17    -0.00  -0.01   0.01
    26   1     0.03  -0.01  -0.00    -0.08   0.01   0.02    -0.00  -0.00  -0.00
    27   1     0.02  -0.04   0.05    -0.07   0.06  -0.12    -0.00  -0.01   0.01
    28   1     0.01   0.10   0.02     0.13  -0.04  -0.02    -0.08  -0.17   0.07
    29   6     0.01   0.05   0.05    -0.00  -0.01  -0.01    -0.01  -0.05  -0.03
    30   1     0.68   0.01   0.48     0.49  -0.18   0.36     0.38   0.42   0.36
    31   1     0.05   0.12   0.18    -0.08  -0.06  -0.07    -0.02  -0.20  -0.30
    32   1     0.01  -0.06   0.05    -0.05   0.13   0.11     0.03   0.07  -0.15
    33   1     0.02  -0.04   0.05    -0.09  -0.05  -0.09     0.05   0.21   0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6959               703.4642               769.4432
 Red. masses --      5.2652                 3.1641                 3.6831
 Frc consts  --      1.3747                 0.9225                 1.2847
 IR Inten    --      5.9923                34.0466                 8.8997
 RamAct Fr= 1--      4.4118                 0.3330                20.3987
  Dep-P Fr= 1--      0.5242                 0.5967                 0.0096
  Dep-U Fr= 1--      0.6878                 0.7474                 0.0190
 Alpha2 Fr= 1--      0.0194                 0.0009                 0.4432
 Beta2  Fr= 1--      0.5057                 0.0415                 0.0647
 AlphaG Fr= 1--     -0.0144                -0.0057                 0.1211
 Gamma2 Fr= 1--      0.0278                 0.8595                 0.4266
 Delta2 Fr= 1--     -0.5471                 0.1962                 0.0510
 Raman1 Fr= 1--      17.647                  1.332                 81.595
 ROA1   Fr= 1--     -14.835                 88.790                 42.587
 CID1   Fr= 1--      -0.841                 66.658                  0.522
 Raman2 Fr= 1--       6.069                  0.498                  0.776
 ROA2   Fr= 1--       5.044                 19.058                  9.831
 CID2   Fr= 1--       0.831                 38.286                 12.665
 Raman3 Fr= 1--      12.138                  0.996                  1.553
 ROA3   Fr= 1--     -14.835                 88.790                 42.587
 CID3   Fr= 1--      -1.222                 89.184                 27.430
 RC180  Fr= 1--       0.376                  0.495                 -0.962
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19   0.12  -0.12    -0.07  -0.01  -0.12    -0.05   0.15   0.02
     2   6    -0.00   0.07  -0.04     0.01   0.02   0.04     0.14  -0.09  -0.14
     3   6    -0.20  -0.15  -0.01    -0.12   0.03   0.02     0.02   0.04  -0.13
     4   6     0.00  -0.06   0.05     0.01  -0.05  -0.09    -0.13   0.08   0.13
     5   6     0.21  -0.10   0.12    -0.09   0.01   0.03     0.01  -0.13  -0.03
     6   6     0.23   0.17   0.01    -0.04  -0.06  -0.08    -0.05  -0.04   0.13
     7   6    -0.02   0.01  -0.04     0.10   0.08   0.17     0.08  -0.04  -0.05
     8   6     0.01  -0.00   0.00     0.02  -0.01  -0.01    -0.11   0.01  -0.00
     9   6     0.00   0.01  -0.00    -0.00  -0.06  -0.01    -0.02   0.08   0.00
    10   6    -0.00  -0.00   0.01     0.01   0.03  -0.06    -0.03  -0.03   0.06
    11   6    -0.03  -0.09   0.09     0.12  -0.07   0.07     0.02  -0.06   0.06
    12   6    -0.03   0.01   0.11     0.16   0.02   0.06     0.12   0.03  -0.00
    13   8     0.04  -0.11  -0.08    -0.04   0.06  -0.04    -0.00   0.08  -0.03
    14   8    -0.03   0.14   0.01    -0.07  -0.03  -0.04    -0.01  -0.06  -0.03
    15   1    -0.10   0.16  -0.12    -0.16  -0.02  -0.09    -0.20   0.15   0.12
    16   1    -0.14  -0.19  -0.01    -0.20   0.13   0.14     0.17  -0.10  -0.26
    17   1     0.14  -0.15   0.10    -0.18   0.09   0.20     0.17  -0.18  -0.20
    18   1     0.20   0.19  -0.02    -0.12   0.00  -0.07    -0.19   0.07   0.19
    19   1    -0.03   0.03  -0.17     0.11   0.08   0.14     0.05  -0.03  -0.07
    20   1     0.01   0.13   0.02     0.12   0.08   0.17     0.06  -0.04  -0.05
    21   1    -0.01   0.02   0.02     0.09  -0.08  -0.13    -0.07  -0.03  -0.07
    22   1    -0.01   0.01  -0.00     0.02  -0.06  -0.01     0.08   0.09   0.01
    23   1    -0.00   0.04   0.00     0.02  -0.11  -0.02     0.04  -0.11  -0.02
    24   1    -0.01  -0.00  -0.01     0.03  -0.04   0.01     0.09   0.24   0.03
    25   1    -0.01  -0.00   0.02     0.03   0.04  -0.10     0.06   0.04  -0.10
    26   1    -0.01   0.00   0.01     0.03   0.02  -0.05     0.07  -0.05   0.08
    27   1    -0.01   0.01  -0.01     0.04   0.02  -0.02     0.05  -0.12   0.23
    28   1    -0.04  -0.12   0.04     0.07  -0.08   0.07    -0.03  -0.09   0.02
    29   6    -0.01  -0.07  -0.05     0.02   0.01   0.03     0.01  -0.00   0.03
    30   1     0.10   0.40   0.15     0.46  -0.19   0.32     0.12  -0.26   0.03
    31   1    -0.01  -0.18  -0.25    -0.04  -0.08  -0.11    -0.05  -0.11  -0.16
    32   1     0.02   0.01  -0.13    -0.00   0.19   0.08    -0.01   0.16   0.04
    33   1     0.03   0.12   0.01    -0.02   0.07  -0.00    -0.02   0.13   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    778.4215               818.6302               838.6260
 Red. masses --      3.1503                 3.0379                 2.6289
 Frc consts  --      1.1247                 1.1995                 1.0893
 IR Inten    --      9.3848                 9.9325                 0.4500
 RamAct Fr= 1--     12.0921                 4.1420                13.1136
  Dep-P Fr= 1--      0.0538                 0.1238                 0.0294
  Dep-U Fr= 1--      0.1021                 0.2203                 0.0571
 Alpha2 Fr= 1--      0.2367                 0.0684                 0.2720
 Beta2  Fr= 1--      0.2057                 0.1520                 0.1248
 AlphaG Fr= 1--      0.0317                -0.0137                 0.0606
 Gamma2 Fr= 1--      0.0735                 1.2173                 0.5931
 Delta2 Fr= 1--     -0.1127                 0.0564                 0.1116
 Raman1 Fr= 1--      48.368                 16.568                 52.454
 ROA1   Fr= 1--       3.450                118.664                 60.507
 CID1   Fr= 1--       0.071                  7.162                  1.154
 Raman2 Fr= 1--       2.468                  1.825                  1.497
 ROA2   Fr= 1--       2.666                 28.763                 13.341
 CID2   Fr= 1--       1.080                 15.764                  8.911
 Raman3 Fr= 1--       4.937                  3.649                  2.994
 ROA3   Fr= 1--       3.450                118.664                 60.507
 CID3   Fr= 1--       0.699                 32.518                 20.208
 RC180  Fr= 1--      -0.796                 -0.559                 -0.886
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.04     0.04   0.03   0.04    -0.03  -0.04   0.04
     2   6     0.01  -0.07  -0.12     0.01  -0.03  -0.06     0.03  -0.04  -0.08
     3   6     0.00  -0.08  -0.06     0.05   0.01   0.01    -0.05  -0.08   0.02
     4   6    -0.00   0.07   0.13    -0.05   0.02   0.03     0.03   0.02   0.04
     5   6     0.02   0.02  -0.11     0.03  -0.04   0.06    -0.06   0.06  -0.03
     6   6    -0.01   0.06  -0.00     0.00  -0.00   0.06    -0.06   0.05   0.00
     7   6    -0.02   0.09   0.17    -0.12   0.05   0.04     0.13   0.02   0.04
     8   6     0.08   0.01   0.03     0.06   0.02   0.05    -0.04   0.00  -0.01
     9   6    -0.00  -0.14  -0.01     0.00  -0.12   0.00    -0.02   0.04  -0.00
    10   6     0.02   0.07  -0.12     0.02   0.06  -0.10    -0.02  -0.02   0.04
    11   6     0.03  -0.03   0.04    -0.08   0.08  -0.07     0.12   0.10  -0.10
    12   6    -0.13   0.01  -0.10     0.21  -0.01   0.16    -0.00  -0.05   0.09
    13   8     0.04  -0.00   0.02    -0.06   0.01  -0.04    -0.04  -0.09   0.02
    14   8     0.04  -0.00   0.03    -0.05  -0.00  -0.04    -0.03   0.08   0.03
    15   1    -0.13   0.18   0.36     0.10   0.01  -0.02    -0.02  -0.02   0.06
    16   1    -0.10  -0.00  -0.02     0.19  -0.13  -0.11    -0.08  -0.10  -0.12
    17   1    -0.08   0.06   0.01     0.18  -0.17  -0.21    -0.03  -0.15  -0.32
    18   1    -0.10   0.23   0.37     0.05  -0.07  -0.08    -0.01  -0.02  -0.13
    19   1    -0.13   0.12   0.17    -0.22   0.06   0.10     0.14   0.01   0.08
    20   1    -0.12   0.12   0.19    -0.25   0.04   0.04     0.12  -0.03   0.02
    21   1     0.13  -0.04  -0.05     0.02   0.05   0.11     0.05  -0.11  -0.17
    22   1    -0.05  -0.20  -0.04    -0.07  -0.21  -0.05     0.07   0.07   0.01
    23   1    -0.01  -0.06  -0.02    -0.03   0.02  -0.01     0.03  -0.13  -0.02
    24   1    -0.04  -0.18  -0.03    -0.07  -0.18  -0.05     0.08   0.16   0.04
    25   1    -0.00   0.02  -0.06    -0.04  -0.02   0.03     0.05   0.04  -0.09
    26   1    -0.01   0.08  -0.19    -0.04   0.09  -0.20     0.05  -0.04   0.08
    27   1    -0.00   0.08  -0.17    -0.04   0.07  -0.19     0.05  -0.06   0.15
    28   1     0.10  -0.07  -0.06    -0.21   0.15   0.11     0.12   0.16   0.00
    29   6     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.03  -0.02  -0.09
    30   1    -0.12  -0.01  -0.09     0.13   0.00   0.09    -0.02   0.31   0.08
    31   1    -0.06  -0.08  -0.11     0.07   0.12   0.18    -0.05   0.12   0.21
    32   1    -0.03   0.14   0.08     0.01  -0.30  -0.15    -0.06  -0.07   0.14
    33   1    -0.06   0.03  -0.04     0.07  -0.15  -0.01    -0.09  -0.43  -0.24
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.3833               857.0206               872.5558
 Red. masses --      2.4864                 1.4125                 1.9313
 Frc consts  --      1.0644                 0.6112                 0.8664
 IR Inten    --      7.1040                 1.1679                21.3620
 RamAct Fr= 1--      9.7790                 1.9820                 2.0695
  Dep-P Fr= 1--      0.1566                 0.4363                 0.6813
  Dep-U Fr= 1--      0.2708                 0.6075                 0.8104
 Alpha2 Fr= 1--      0.1487                 0.0128                 0.0025
 Beta2  Fr= 1--      0.4413                 0.2007                 0.2795
 AlphaG Fr= 1--     -0.1301                 0.0072                -0.0069
 Gamma2 Fr= 1--      0.6655                -0.7316                 0.1062
 Delta2 Fr= 1--     -0.1454                -0.8184                 0.0159
 Raman1 Fr= 1--      39.116                  7.928                  8.278
 ROA1   Fr= 1--      59.234                -96.426                 10.700
 CID1   Fr= 1--       1.514                -12.163                  1.293
 Raman2 Fr= 1--       5.296                  2.408                  3.354
 ROA2   Fr= 1--      17.135                -11.012                  2.420
 CID2   Fr= 1--       3.235                 -4.573                  0.722
 Raman3 Fr= 1--      10.592                  4.816                  6.709
 ROA3   Fr= 1--      59.234                -96.426                 10.700
 CID3   Fr= 1--       5.592                -20.021                  1.595
 RC180  Fr= 1--      -0.458                  0.215                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.06    -0.02   0.07   0.03     0.03   0.00  -0.10
     2   6     0.04  -0.02  -0.02     0.01   0.00   0.01    -0.03   0.05   0.09
     3   6     0.02   0.11  -0.04    -0.01   0.07   0.04     0.05   0.01  -0.09
     4   6     0.01  -0.05  -0.08    -0.01   0.00   0.00    -0.05   0.05   0.08
     5   6    -0.02  -0.04   0.13     0.02  -0.07  -0.04     0.02  -0.08  -0.00
     6   6    -0.05  -0.07   0.10     0.00  -0.07  -0.04    -0.01  -0.08  -0.01
     7   6    -0.06   0.01  -0.01    -0.02  -0.01  -0.00    -0.06  -0.00  -0.05
     8   6     0.01   0.02   0.04     0.00   0.00   0.01     0.02  -0.01  -0.03
     9   6    -0.00  -0.06   0.01     0.00  -0.01   0.00     0.01   0.02  -0.01
    10   6     0.01   0.04  -0.04     0.00   0.01  -0.01     0.01  -0.02   0.02
    11   6     0.13  -0.03  -0.01     0.06   0.02  -0.03     0.07   0.04  -0.03
    12   6    -0.12  -0.01  -0.04    -0.02  -0.02   0.01     0.02  -0.02   0.04
    13   8     0.01  -0.05   0.03    -0.01  -0.03   0.01    -0.02  -0.03   0.01
    14   8     0.01   0.04   0.04    -0.01   0.03   0.01    -0.02   0.03   0.01
    15   1    -0.09   0.02  -0.12     0.12  -0.21  -0.41    -0.22   0.30   0.42
    16   1     0.08   0.08  -0.01     0.20  -0.21  -0.38    -0.11   0.29   0.42
    17   1     0.25  -0.28  -0.36    -0.14   0.20   0.42    -0.03   0.08   0.23
    18   1     0.07  -0.30  -0.41    -0.19   0.18   0.35    -0.14   0.06   0.18
    19   1    -0.14   0.02   0.01    -0.03  -0.00  -0.03     0.01  -0.02  -0.01
    20   1    -0.13   0.02   0.01    -0.03   0.02   0.01    -0.01  -0.06  -0.08
    21   1    -0.02   0.05   0.08    -0.01   0.02   0.03    -0.05   0.04   0.09
    22   1    -0.03  -0.12  -0.03    -0.01  -0.02  -0.00    -0.03   0.06   0.01
    23   1    -0.01   0.01  -0.01    -0.00   0.03  -0.00    -0.02   0.07   0.03
    24   1    -0.03  -0.06  -0.03    -0.02  -0.03  -0.01    -0.03  -0.07  -0.00
    25   1    -0.01  -0.02   0.00    -0.00   0.00   0.00    -0.04  -0.03   0.11
    26   1    -0.01   0.05  -0.12    -0.01   0.01  -0.02    -0.05  -0.01   0.06
    27   1    -0.02   0.01  -0.07    -0.00   0.01  -0.02    -0.03   0.05  -0.08
    28   1     0.23  -0.05  -0.09     0.09   0.02  -0.03     0.07   0.06   0.01
    29   6     0.05   0.04   0.04     0.02  -0.00  -0.02     0.02  -0.03  -0.06
    30   1    -0.06   0.13   0.01    -0.02   0.09   0.02     0.01   0.09   0.04
    31   1    -0.08  -0.03  -0.03    -0.04   0.01   0.04    -0.06   0.01   0.06
    32   1    -0.03   0.25   0.20    -0.03   0.05   0.10    -0.05   0.04   0.11
    33   1    -0.09  -0.05  -0.09    -0.05  -0.13  -0.09    -0.08  -0.24  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.4688               942.5540               958.2125
 Red. masses --      1.5435                 1.2142                 1.5395
 Frc consts  --      0.7374                 0.6355                 0.8328
 IR Inten    --      0.2029                 0.3146                 0.0826
 RamAct Fr= 1--      0.3876                 0.3328                 3.9789
  Dep-P Fr= 1--      0.6881                 0.7497                 0.7497
  Dep-U Fr= 1--      0.8152                 0.8570                 0.8570
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0527                 0.0475                 0.5683
 AlphaG Fr= 1--      0.0019                 0.0001                 0.0016
 Gamma2 Fr= 1--     -0.3087                 0.0129                -0.4639
 Delta2 Fr= 1--     -0.2309                 0.0057                 0.6255
 Raman1 Fr= 1--       1.551                  1.331                 15.915
 ROA1   Fr= 1--     -37.021                  1.419                -24.517
 CID1   Fr= 1--     -23.876                  1.066                 -1.540
 Raman2 Fr= 1--       0.632                  0.570                  6.820
 ROA2   Fr= 1--      -5.561                  0.263                -16.137
 CID2   Fr= 1--      -8.798                  0.461                 -2.366
 Raman3 Fr= 1--       1.264                  1.141                 13.639
 ROA3   Fr= 1--     -37.021                  1.419                -24.517
 CID3   Fr= 1--     -29.287                  1.243                 -1.798
 RC180  Fr= 1--       0.630                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.02    -0.00  -0.01   0.01     0.00   0.00  -0.00
     2   6     0.00   0.01  -0.01     0.00   0.01  -0.00    -0.01  -0.00  -0.00
     3   6    -0.03  -0.01   0.00    -0.01  -0.00   0.00     0.00   0.02   0.01
     4   6     0.00   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.02
     5   6     0.03  -0.01   0.01     0.01  -0.00   0.00    -0.03   0.04   0.09
     6   6     0.01  -0.03   0.02     0.00  -0.01   0.01     0.04  -0.05  -0.08
     7   6     0.02   0.15  -0.08     0.01   0.06  -0.03    -0.06   0.04   0.05
     8   6     0.01   0.05  -0.02    -0.00  -0.02   0.01     0.02  -0.04  -0.07
     9   6    -0.05  -0.05  -0.02     0.03  -0.01   0.07     0.02   0.05  -0.04
    10   6     0.04  -0.02   0.05    -0.03  -0.06  -0.04     0.01  -0.06   0.02
    11   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    12   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01  -0.07  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.04
    16   1    -0.05  -0.02  -0.07    -0.03   0.00  -0.02     0.07  -0.07  -0.11
    17   1     0.05   0.04   0.05     0.03   0.01   0.02     0.22  -0.28  -0.49
    18   1     0.02  -0.03   0.04     0.01  -0.02   0.01    -0.19   0.28   0.50
    19   1     0.02   0.07   0.51     0.03   0.02   0.21    -0.06   0.04   0.05
    20   1    -0.06  -0.38  -0.34    -0.04  -0.16  -0.14    -0.06   0.02   0.04
    21   1    -0.02  -0.19   0.10     0.03   0.25  -0.14     0.03  -0.05  -0.08
    22   1     0.13  -0.00   0.01    -0.13  -0.42  -0.15     0.01   0.24   0.07
    23   1     0.03  -0.35  -0.04     0.04   0.36  -0.11    -0.02   0.01   0.06
    24   1     0.11   0.14   0.05    -0.06   0.14  -0.15    -0.01  -0.11   0.04
    25   1    -0.09  -0.15   0.30     0.04   0.29  -0.24    -0.02   0.05   0.05
    26   1    -0.13   0.02  -0.03     0.06  -0.12   0.44    -0.04  -0.08   0.25
    27   1    -0.08   0.05  -0.15     0.10   0.18  -0.03     0.01   0.11  -0.09
    28   1    -0.02  -0.03  -0.02    -0.01  -0.01  -0.01     0.00  -0.02  -0.02
    29   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01   0.02
    30   1    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.03  -0.04    -0.00  -0.01  -0.01     0.01   0.00  -0.01
    32   1     0.00   0.03   0.00     0.00   0.01   0.00     0.01   0.01  -0.01
    33   1    -0.00   0.04   0.01    -0.00   0.01   0.00     0.01   0.04   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.7335               973.7294               982.2434
 Red. masses --      1.6949                 1.5758                 1.4190
 Frc consts  --      0.9391                 0.8803                 0.8066
 IR Inten    --      0.2378                 0.0160                 0.1738
 RamAct Fr= 1--      3.5868                 2.3933                 0.9574
  Dep-P Fr= 1--      0.7380                 0.7491                 0.5538
  Dep-U Fr= 1--      0.8493                 0.8565                 0.7128
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0036
 Beta2  Fr= 1--      0.5077                 0.3417                 0.1137
 AlphaG Fr= 1--     -0.0158                 0.0005                 0.0102
 Gamma2 Fr= 1--      1.0154                -0.0880                -0.4529
 Delta2 Fr= 1--     -0.5547                -0.0812                 0.0763
 Raman1 Fr= 1--      14.347                  9.573                  3.830
 ROA1   Fr= 1--      79.730                -11.050                -41.034
 CID1   Fr= 1--       5.557                 -1.154                -10.715
 Raman2 Fr= 1--       6.092                  4.100                  1.365
 ROA2   Fr= 1--      28.808                 -1.463                -11.479
 CID2   Fr= 1--       4.729                 -0.357                 -8.410
 Raman3 Fr= 1--      12.185                  8.200                  2.730
 ROA3   Fr= 1--      79.730                -11.050                -41.034
 CID3   Fr= 1--       6.544                 -1.348                -15.032
 RC180  Fr= 1--       0.699                  0.713                  0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.03     0.00   0.01  -0.00     0.04  -0.06  -0.09
     2   6     0.00   0.02   0.04    -0.00  -0.01  -0.00    -0.00   0.02   0.03
     3   6     0.01  -0.04  -0.04     0.01   0.00  -0.00    -0.04   0.04   0.09
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.02
     5   6    -0.03   0.05   0.04    -0.00  -0.00  -0.01    -0.01   0.01  -0.00
     6   6     0.03  -0.04  -0.08    -0.00   0.01   0.00     0.01   0.00  -0.01
     7   6     0.07  -0.06  -0.08    -0.01  -0.04   0.03     0.03  -0.03  -0.04
     8   6    -0.04   0.05   0.09    -0.01  -0.10   0.05    -0.02   0.02   0.04
     9   6    -0.03  -0.06   0.06    -0.05   0.11   0.06    -0.01  -0.02   0.02
    10   6    -0.00   0.08  -0.03     0.07  -0.01  -0.11     0.00   0.03  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.07  -0.12  -0.18     0.00   0.01  -0.00    -0.21   0.32   0.54
    16   1    -0.13   0.15   0.26     0.01   0.00   0.01     0.21  -0.33  -0.51
    17   1     0.10  -0.16  -0.32    -0.02   0.01   0.02     0.01  -0.02  -0.05
    18   1    -0.17   0.24   0.42     0.01  -0.01  -0.04    -0.02   0.05   0.07
    19   1     0.12  -0.07  -0.08     0.01  -0.03  -0.11     0.08  -0.04  -0.05
    20   1     0.12  -0.05  -0.08    -0.01   0.08   0.09     0.07  -0.03  -0.04
    21   1    -0.07   0.07   0.16    -0.03  -0.33   0.17    -0.05   0.04   0.09
    22   1    -0.02  -0.34  -0.09     0.15  -0.08  -0.04    -0.02  -0.14  -0.04
    23   1     0.03   0.01  -0.08     0.09  -0.13  -0.10     0.01   0.02  -0.03
    24   1     0.01   0.18  -0.06     0.16   0.53   0.03     0.00   0.07  -0.03
    25   1     0.01  -0.07  -0.01    -0.10   0.04   0.16    -0.00  -0.04   0.01
    26   1     0.01   0.10  -0.31    -0.16   0.01   0.11     0.00   0.05  -0.14
    27   1    -0.03  -0.11   0.06    -0.06   0.30  -0.48    -0.02  -0.05   0.02
    28   1    -0.00   0.00   0.01     0.01   0.01   0.01    -0.01  -0.03  -0.07
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.02
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.01  -0.01  -0.02
    32   1    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.01   0.04   0.01
    33   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.05   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.6060              1046.9044              1083.7729
 Red. masses --      1.9204                 2.8566                 2.1263
 Frc consts  --      1.1648                 1.8447                 1.4715
 IR Inten    --      2.2265                 4.5330                54.6746
 RamAct Fr= 1--     11.7296                 0.0665                 2.7651
  Dep-P Fr= 1--      0.2410                 0.4388                 0.7157
  Dep-U Fr= 1--      0.3883                 0.6100                 0.8343
 Alpha2 Fr= 1--      0.1426                 0.0004                 0.0016
 Beta2  Fr= 1--      0.7592                 0.0068                 0.3845
 AlphaG Fr= 1--      0.0382                -0.0004                 0.0167
 Gamma2 Fr= 1--      0.4418                -0.1414                -3.2235
 Delta2 Fr= 1--     -0.9251                 0.1250                -1.1247
 Raman1 Fr= 1--      46.919                  0.266                 11.060
 ROA1   Fr= 1--      12.808                 -9.577               -345.449
 CID1   Fr= 1--       0.273                -35.976                -31.233
 Raman2 Fr= 1--       9.110                  0.081                  4.614
 ROA2   Fr= 1--      18.003                 -4.394                -68.366
 CID2   Fr= 1--       1.976                -54.125                -14.818
 Raman3 Fr= 1--      18.221                  0.162                  9.227
 ROA3   Fr= 1--      12.808                 -9.577               -345.449
 CID3   Fr= 1--       0.703                -58.978                -37.437
 RC180  Fr= 1--      -0.223                  0.220                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.04  -0.06     0.00  -0.17   0.10     0.01  -0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.03  -0.01  -0.01    -0.01   0.04  -0.02
     3   6    -0.01   0.05   0.00     0.05   0.18  -0.09    -0.02  -0.00   0.00
     4   6     0.07  -0.03   0.02    -0.04  -0.01  -0.01     0.05   0.03  -0.01
     5   6    -0.00   0.02   0.00     0.01  -0.17   0.10     0.02  -0.04   0.04
     6   6    -0.03  -0.04   0.01     0.05   0.18  -0.09    -0.05  -0.04   0.00
     7   6     0.01   0.01  -0.01     0.01  -0.00   0.00     0.01   0.02  -0.01
     8   6     0.00   0.01  -0.00     0.00   0.01   0.00    -0.00  -0.07   0.04
     9   6    -0.00  -0.01   0.00    -0.01  -0.00   0.00     0.02   0.03  -0.01
    10   6    -0.00  -0.00   0.01    -0.00   0.00   0.00    -0.02   0.03  -0.02
    11   6     0.03   0.03   0.18     0.01  -0.01   0.02     0.04   0.19   0.03
    12   6    -0.06   0.02  -0.05    -0.01   0.01  -0.00    -0.05   0.05   0.06
    13   8     0.03   0.03  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.01
    14   8     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.02  -0.09  -0.03
    15   1    -0.14   0.05   0.01    -0.30  -0.34   0.09     0.06   0.00   0.02
    16   1     0.03  -0.03  -0.16    -0.19   0.30  -0.26    -0.16   0.06  -0.12
    17   1     0.00  -0.02  -0.06    -0.28  -0.34   0.07     0.10  -0.02   0.02
    18   1    -0.01  -0.04   0.04    -0.19   0.31  -0.24    -0.18   0.02  -0.06
    19   1    -0.03   0.01   0.02     0.02  -0.00   0.00     0.25  -0.05   0.02
    20   1     0.04  -0.02  -0.02     0.05  -0.01  -0.01    -0.27   0.00   0.01
    21   1     0.01   0.01  -0.01     0.02  -0.01  -0.02     0.01  -0.11   0.02
    22   1     0.00  -0.03  -0.01     0.01  -0.03  -0.01    -0.01   0.10   0.03
    23   1     0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.07   0.04
    24   1     0.00   0.02  -0.01     0.01   0.03  -0.00    -0.01  -0.05   0.02
    25   1     0.00  -0.00   0.00     0.00  -0.00  -0.01     0.03   0.01  -0.11
    26   1     0.00  -0.00   0.01     0.01   0.00  -0.01     0.05   0.03  -0.11
    27   1     0.00  -0.00   0.01     0.00  -0.01   0.02     0.01  -0.06   0.07
    28   1     0.21   0.27   0.54     0.06   0.04   0.10     0.16   0.06  -0.27
    29   6    -0.07  -0.05  -0.12     0.01   0.00  -0.02    -0.05  -0.13   0.02
    30   1     0.02  -0.07  -0.02     0.00  -0.01  -0.00     0.01   0.28   0.03
    31   1     0.12   0.15   0.21    -0.01   0.04   0.06     0.05  -0.31  -0.38
    32   1    -0.01  -0.50  -0.22    -0.01  -0.03   0.03     0.05   0.02  -0.25
    33   1     0.11  -0.22   0.02    -0.00  -0.08  -0.03     0.02   0.31   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1095.0043              1103.8368              1110.1409
 Red. masses --      1.5980                 2.0355                 1.4810
 Frc consts  --      1.1289                 1.4613                 1.0754
 IR Inten    --      7.0088                45.9944                 0.8120
 RamAct Fr= 1--      0.9784                 7.0423                 4.3774
  Dep-P Fr= 1--      0.4699                 0.2223                 0.1734
  Dep-U Fr= 1--      0.6394                 0.3637                 0.2955
 Alpha2 Fr= 1--      0.0055                 0.0901                 0.0637
 Beta2  Fr= 1--      0.1043                 0.4269                 0.2156
 AlphaG Fr= 1--     -0.0102                 0.0720                 0.0121
 Gamma2 Fr= 1--      1.0205                 0.9093                -0.2401
 Delta2 Fr= 1--      0.5752                 2.7036                -0.0128
 Raman1 Fr= 1--       3.914                 28.169                 17.509
 ROA1   Fr= 1--     116.376                173.805                -23.459
 CID1   Fr= 1--      29.735                  6.170                 -1.340
 Raman2 Fr= 1--       1.251                  5.123                  2.587
 ROA2   Fr= 1--      19.890                  0.194                 -5.660
 CID2   Fr= 1--      15.897                  0.038                 -2.188
 Raman3 Fr= 1--       2.502                 10.245                  5.174
 ROA3   Fr= 1--     116.376                173.805                -23.459
 CID3   Fr= 1--      46.505                 16.964                 -4.534
 RC180  Fr= 1--       0.279                 -0.273                 -0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.03     0.02   0.01   0.00     0.01   0.01  -0.02
     2   6     0.02   0.04  -0.02     0.02  -0.03   0.01    -0.08   0.02   0.02
     3   6    -0.03  -0.03   0.01     0.00  -0.01   0.02     0.02   0.01   0.00
     4   6    -0.02   0.01  -0.05    -0.03  -0.02  -0.06    -0.00  -0.00  -0.01
     5   6     0.01  -0.00   0.01    -0.03   0.01  -0.00     0.02  -0.01   0.02
     6   6     0.00  -0.02   0.02     0.02   0.04  -0.01     0.00  -0.01  -0.01
     7   6     0.00   0.04  -0.02    -0.01  -0.04   0.03    -0.01  -0.02  -0.03
     8   6    -0.02  -0.09   0.05    -0.01   0.09  -0.05     0.14  -0.00   0.01
     9   6     0.04   0.04  -0.02    -0.02  -0.04   0.01    -0.08   0.01   0.02
    10   6    -0.02   0.04  -0.03     0.04  -0.04   0.03    -0.07   0.02   0.01
    11   6    -0.05  -0.03   0.08    -0.06   0.12   0.09    -0.02   0.00   0.01
    12   6    -0.00  -0.00  -0.03    -0.04   0.05   0.04    -0.00   0.00  -0.00
    13   8     0.02   0.02  -0.01     0.02   0.03  -0.02     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00     0.02  -0.08  -0.03     0.00  -0.00  -0.00
    15   1     0.09  -0.02   0.02     0.07   0.04   0.00     0.06   0.08   0.04
    16   1    -0.09  -0.02  -0.07     0.12  -0.09   0.04     0.07  -0.01   0.03
    17   1     0.17   0.06  -0.01    -0.06  -0.04  -0.06     0.06   0.00   0.02
    18   1    -0.02  -0.01   0.00     0.03   0.03  -0.03     0.03  -0.01   0.08
    19   1     0.36  -0.06   0.06    -0.27   0.04  -0.08    -0.26   0.03   0.03
    20   1    -0.35  -0.02  -0.02     0.34   0.02   0.03    -0.21   0.06   0.03
    21   1    -0.05  -0.12   0.11    -0.04   0.17  -0.01     0.37  -0.23  -0.37
    22   1    -0.04   0.16   0.04     0.00  -0.12  -0.03     0.16  -0.06  -0.02
    23   1    -0.03   0.14   0.07     0.01  -0.07  -0.04     0.06  -0.28  -0.10
    24   1    -0.03  -0.12   0.01    -0.00   0.03  -0.02     0.14   0.31   0.08
    25   1     0.03   0.00  -0.11    -0.05  -0.01   0.16     0.09   0.05  -0.26
    26   1     0.04   0.04  -0.14    -0.07  -0.03   0.14     0.16  -0.02  -0.03
    27   1    -0.00  -0.05   0.05    -0.02   0.08  -0.12     0.09  -0.12   0.30
    28   1    -0.31   0.02   0.27    -0.21   0.06   0.05    -0.08  -0.00   0.03
    29   6     0.08   0.00  -0.04     0.10  -0.09  -0.04     0.02  -0.01  -0.01
    30   1     0.00  -0.14  -0.03     0.00   0.13  -0.00     0.00  -0.02  -0.01
    31   1    -0.17   0.02   0.09    -0.23  -0.24  -0.19    -0.05  -0.02  -0.01
    32   1    -0.06   0.16   0.28    -0.04   0.33   0.25    -0.01   0.07   0.07
    33   1    -0.12  -0.31  -0.25    -0.19  -0.18  -0.30    -0.04  -0.05  -0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.1907              1161.8647              1202.8117
 Red. masses --      1.5531                 2.0650                 2.0119
 Frc consts  --      1.2022                 1.6424                 1.7150
 IR Inten    --     46.6366               157.5915                 0.7332
 RamAct Fr= 1--      1.9443                 1.3537                 8.4929
  Dep-P Fr= 1--      0.2426                 0.7496                 0.2298
  Dep-U Fr= 1--      0.3904                 0.8569                 0.3737
 Alpha2 Fr= 1--      0.0235                 0.0000                 0.1065
 Beta2  Fr= 1--      0.1265                 0.1933                 0.5289
 AlphaG Fr= 1--      0.0049                 0.0008                -0.0288
 Gamma2 Fr= 1--     -0.2002                -1.5994                -0.2195
 Delta2 Fr= 1--     -0.2416                -0.5964                 0.3769
 Raman1 Fr= 1--       7.777                  5.415                 33.972
 ROA1   Fr= 1--     -26.947               -172.632                 -9.014
 CID1   Fr= 1--      -3.465                -31.882                 -0.265
 Raman2 Fr= 1--       1.518                  2.320                  6.347
 ROA2   Fr= 1--      -2.872                -33.615                 -8.284
 CID2   Fr= 1--      -1.892                -14.490                 -1.305
 Raman3 Fr= 1--       3.037                  4.640                 12.694
 ROA3   Fr= 1--     -26.947               -172.632                 -9.014
 CID3   Fr= 1--      -8.874                -37.206                 -0.710
 RC180  Fr= 1--      -0.219                  0.714                 -0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00  -0.02    -0.05   0.01  -0.02     0.02  -0.01   0.01
     2   6    -0.00  -0.02   0.01    -0.00  -0.01   0.00     0.06   0.02   0.04
     3   6     0.05   0.02   0.01     0.05   0.01   0.02    -0.03  -0.02  -0.00
     4   6    -0.05  -0.04   0.01     0.05   0.00   0.00    -0.03  -0.00  -0.01
     5   6    -0.06   0.03  -0.04    -0.04  -0.01  -0.00    -0.02   0.02  -0.02
     6   6     0.08   0.02   0.02     0.03   0.00   0.01     0.02   0.01  -0.00
     7   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.02  -0.03  -0.06
     8   6    -0.00  -0.05   0.03    -0.00  -0.01   0.01     0.04   0.09   0.18
     9   6     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.05  -0.02  -0.12
    10   6    -0.02   0.02  -0.01    -0.00   0.01  -0.00    -0.05  -0.08  -0.09
    11   6    -0.00  -0.01  -0.01    -0.00   0.13   0.02     0.02   0.01   0.01
    12   6    -0.03   0.05   0.07     0.06  -0.11  -0.12     0.00  -0.00  -0.00
    13   8     0.01   0.02  -0.01    -0.02  -0.04   0.03    -0.00  -0.00   0.00
    14   8     0.01  -0.07  -0.02    -0.01   0.13   0.02    -0.00   0.01   0.00
    15   1    -0.37  -0.17  -0.05    -0.29  -0.12  -0.04    -0.06  -0.04   0.02
    16   1     0.33  -0.11   0.21     0.24  -0.08   0.12    -0.04  -0.01  -0.01
    17   1    -0.33  -0.12  -0.06    -0.33  -0.20  -0.05    -0.02   0.02  -0.02
    18   1     0.44  -0.15   0.26     0.17  -0.07   0.11    -0.06   0.06  -0.03
    19   1     0.11  -0.00   0.09     0.03   0.00   0.03    -0.09  -0.01   0.00
    20   1    -0.14  -0.05  -0.06    -0.03  -0.02  -0.02    -0.08   0.03  -0.02
    21   1    -0.00  -0.10   0.05    -0.01  -0.03   0.02    -0.04   0.18   0.33
    22   1    -0.01   0.07   0.02    -0.01   0.02   0.00     0.11   0.34   0.09
    23   1    -0.01   0.06   0.03    -0.00   0.02   0.01    -0.09  -0.37   0.13
    24   1    -0.01  -0.04   0.00    -0.01  -0.01  -0.00     0.08  -0.19   0.17
    25   1     0.02   0.01  -0.08     0.00  -0.00  -0.01    -0.01   0.32  -0.24
    26   1     0.03   0.02  -0.06     0.00   0.01  -0.02     0.05  -0.12   0.34
    27   1     0.00  -0.03   0.05    -0.00  -0.01   0.01     0.12   0.23  -0.06
    28   1     0.20  -0.01  -0.10    -0.31   0.11   0.12     0.06   0.02   0.02
    29   6     0.01   0.01  -0.01    -0.01  -0.09   0.03    -0.01  -0.01   0.00
    30   1    -0.02   0.25   0.03     0.04  -0.47  -0.06     0.00  -0.02  -0.00
    31   1    -0.01   0.04   0.05    -0.02  -0.23  -0.25     0.02  -0.01  -0.01
    32   1    -0.01   0.00   0.04     0.03   0.13  -0.09     0.00  -0.01  -0.02
    33   1    -0.01  -0.05  -0.04    -0.04   0.19   0.03     0.01   0.02   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1278              1223.4806              1236.4778
 Red. masses --      1.3080                 2.0005                 2.4868
 Frc consts  --      1.1342                 1.7643                 2.2400
 IR Inten    --      4.4393                12.7242                 2.1598
 RamAct Fr= 1--     50.0864                40.5677                38.5409
  Dep-P Fr= 1--      0.1049                 0.1850                 0.1888
  Dep-U Fr= 1--      0.1899                 0.3122                 0.3177
 Alpha2 Fr= 1--      0.8664                 0.5731                 0.5391
 Beta2  Fr= 1--      1.5854                 2.1112                 2.0404
 AlphaG Fr= 1--      0.0525                 0.0116                 0.0876
 Gamma2 Fr= 1--      2.7344                 2.1659                 0.0411
 Delta2 Fr= 1--     -0.2506                -0.1773                -0.2787
 Raman1 Fr= 1--     200.346                162.271                154.164
 ROA1   Fr= 1--     254.487                202.253                 -4.972
 CID1   Fr= 1--       1.270                  1.246                 -0.032
 Raman2 Fr= 1--      19.024                 25.334                 24.485
 ROA2   Fr= 1--      67.631                 53.400                  3.217
 CID2   Fr= 1--       3.555                  2.108                  0.131
 Raman3 Fr= 1--      38.049                 50.668                 48.970
 ROA3   Fr= 1--     254.487                202.253                 -4.972
 CID3   Fr= 1--       6.688                  3.992                 -0.102
 RC180  Fr= 1--      -0.620                 -0.376                 -0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02    -0.09   0.01  -0.04     0.03  -0.00   0.01
     2   6     0.03  -0.00   0.01    -0.03   0.00  -0.02     0.27   0.04   0.10
     3   6     0.01  -0.03   0.02     0.08  -0.01   0.04    -0.06  -0.06   0.01
     4   6    -0.10  -0.02  -0.03     0.20   0.04   0.06     0.05   0.03   0.01
     5   6     0.02   0.04  -0.02     0.06  -0.01   0.03    -0.07   0.04  -0.05
     6   6    -0.00   0.05  -0.03    -0.08  -0.03  -0.01     0.04  -0.01   0.02
     7   6    -0.02   0.00  -0.00     0.03  -0.00   0.01    -0.11  -0.02  -0.03
     8   6     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.04  -0.03  -0.09
     9   6     0.00   0.00   0.01    -0.00  -0.01  -0.01    -0.02   0.00   0.03
    10   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00   0.02   0.03
    11   6     0.04   0.02   0.02    -0.07  -0.03  -0.03     0.01  -0.01  -0.00
    12   6     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.01   0.01  -0.00
    13   8    -0.00  -0.01   0.01     0.01   0.02  -0.01     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00    -0.00  -0.04  -0.00    -0.00  -0.01   0.00
    15   1    -0.32  -0.22   0.00    -0.49  -0.20  -0.07    -0.28  -0.18  -0.00
    16   1     0.36  -0.20   0.27     0.23  -0.07   0.14    -0.29   0.04  -0.14
    17   1     0.49   0.32   0.02     0.07  -0.01   0.03    -0.36  -0.13  -0.07
    18   1    -0.27   0.18  -0.21    -0.40   0.12  -0.22    -0.23   0.13  -0.17
    19   1    -0.04   0.01  -0.01     0.07  -0.01  -0.02    -0.28   0.03  -0.06
    20   1    -0.04  -0.01  -0.01     0.03  -0.00   0.01    -0.44   0.05   0.03
    21   1     0.01  -0.02  -0.02    -0.00   0.04   0.02    -0.00   0.07  -0.05
    22   1    -0.00  -0.03  -0.01     0.00   0.03   0.01     0.03  -0.09  -0.02
    23   1     0.01   0.03  -0.02    -0.01  -0.04   0.02     0.04   0.01  -0.08
    24   1     0.00   0.04  -0.01     0.01  -0.03   0.01     0.01   0.14  -0.03
    25   1     0.01  -0.03   0.00    -0.01   0.04  -0.00     0.01  -0.09   0.04
    26   1     0.01   0.01  -0.04    -0.01  -0.01   0.04     0.02   0.02  -0.05
    27   1    -0.01  -0.03   0.03     0.01   0.03  -0.03    -0.02  -0.08   0.07
    28   1     0.23   0.08   0.06    -0.44  -0.17  -0.12    -0.16  -0.06  -0.03
    29   6    -0.01  -0.02   0.00     0.02   0.04  -0.01    -0.01   0.01  -0.00
    30   1     0.01  -0.08  -0.01    -0.02   0.18   0.02    -0.01   0.09   0.02
    31   1     0.03  -0.03  -0.03    -0.05   0.06   0.06     0.01   0.03   0.02
    32   1     0.00   0.01  -0.03    -0.01  -0.01   0.05    -0.00  -0.05  -0.01
    33   1     0.01   0.05   0.03    -0.03  -0.08  -0.06     0.01  -0.03   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.5435              1280.4830              1309.4038
 Red. masses --      1.3872                 1.7449                 1.5706
 Frc consts  --      1.2659                 1.6856                 1.5865
 IR Inten    --      0.7248                 2.6298                 1.0400
 RamAct Fr= 1--      5.6175                 5.3211                 9.9599
  Dep-P Fr= 1--      0.7381                 0.5677                 0.2018
  Dep-U Fr= 1--      0.8493                 0.7243                 0.3358
 Alpha2 Fr= 1--      0.0011                 0.0183                 0.1346
 Beta2  Fr= 1--      0.7952                 0.6423                 0.5574
 AlphaG Fr= 1--     -0.0114                 0.0070                 0.0473
 Gamma2 Fr= 1--     -0.4051                 2.3316                 1.9281
 Delta2 Fr= 1--      0.0029                 1.2134                 2.1726
 Raman1 Fr= 1--      22.470                 21.285                 39.840
 ROA1   Fr= 1--     -38.797                262.664                254.618
 CID1   Fr= 1--      -1.727                 12.341                  6.391
 Raman2 Fr= 1--       9.542                  7.708                  6.689
 ROA2   Fr= 1--      -9.745                 46.252                 28.893
 CID2   Fr= 1--      -1.021                  6.001                  4.319
 Raman3 Fr= 1--      19.084                 15.416                 13.378
 ROA3   Fr= 1--     -38.797                262.664                254.618
 CID3   Fr= 1--      -2.033                 17.038                 19.032
 RC180  Fr= 1--       0.699                  0.449                 -0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04   0.01     0.01   0.03  -0.01     0.03   0.02  -0.00
     2   6    -0.02   0.07  -0.05     0.01  -0.02   0.02    -0.01  -0.01   0.03
     3   6     0.02  -0.01   0.01    -0.01   0.03  -0.02    -0.01   0.02  -0.02
     4   6    -0.02   0.03  -0.03     0.07  -0.09   0.07     0.01  -0.06   0.05
     5   6    -0.02  -0.03   0.01     0.03   0.04  -0.01     0.02   0.02  -0.01
     6   6     0.02  -0.03   0.02    -0.04   0.00  -0.02    -0.02   0.01  -0.02
     7   6     0.01  -0.04   0.03     0.00  -0.00  -0.00     0.06  -0.02  -0.03
     8   6     0.01   0.09  -0.04    -0.00   0.01  -0.01    -0.06   0.02   0.03
     9   6    -0.05  -0.03   0.00    -0.01  -0.00  -0.00     0.03  -0.01  -0.01
    10   6     0.05  -0.03   0.02     0.01  -0.00   0.00     0.03  -0.01  -0.00
    11   6     0.03  -0.01   0.01    -0.16   0.01  -0.01    -0.03  -0.02  -0.08
    12   6    -0.01  -0.00  -0.00     0.02   0.04   0.06     0.05  -0.07  -0.07
    13   8     0.00   0.00   0.00    -0.02  -0.05   0.01     0.00   0.05  -0.00
    14   8    -0.00  -0.00   0.00     0.02   0.03  -0.03    -0.03  -0.02   0.04
    15   1    -0.06  -0.06   0.01    -0.21  -0.09  -0.03    -0.11  -0.05  -0.00
    16   1     0.03  -0.01   0.02    -0.21   0.13  -0.17    -0.10   0.06  -0.07
    17   1     0.06   0.02   0.02     0.10   0.07  -0.02     0.09   0.07   0.01
    18   1     0.15  -0.10   0.11     0.04  -0.04   0.04     0.06  -0.02   0.05
    19   1     0.52  -0.14  -0.18     0.11  -0.03  -0.02    -0.17   0.03   0.07
    20   1    -0.43   0.17   0.16    -0.17   0.03   0.03    -0.29   0.08   0.06
    21   1     0.05   0.42  -0.23     0.01   0.10  -0.06     0.09  -0.08  -0.24
    22   1     0.05  -0.08  -0.02     0.01  -0.00  -0.00    -0.07   0.03   0.01
    23   1     0.02  -0.18  -0.07     0.00  -0.03  -0.01    -0.02   0.06   0.05
    24   1     0.02   0.09   0.01     0.01   0.02   0.00    -0.02  -0.05  -0.02
    25   1    -0.05  -0.02   0.18    -0.01  -0.01   0.03    -0.03  -0.00   0.10
    26   1    -0.07  -0.01   0.08    -0.01   0.00   0.01    -0.08   0.01   0.01
    27   1    -0.00   0.05  -0.10    -0.00   0.00  -0.02    -0.02   0.02  -0.08
    28   1    -0.01  -0.01   0.02     0.62   0.12  -0.16     0.03   0.28   0.46
    29   6    -0.01   0.00  -0.00     0.05  -0.00   0.01     0.02  -0.03   0.05
    30   1    -0.00   0.02   0.01     0.05  -0.46  -0.09    -0.08   0.53   0.10
    31   1     0.02   0.02   0.01    -0.14  -0.06  -0.03    -0.03  -0.11  -0.08
    32   1    -0.00  -0.03  -0.02     0.00   0.09   0.11     0.03   0.15   0.01
    33   1     0.02   0.00   0.02    -0.10  -0.03  -0.12    -0.05   0.13   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1310.0898              1349.6116              1366.2049
 Red. masses --      1.5531                 2.2396                 1.4467
 Frc consts  --      1.5705                 2.4034                 1.5909
 IR Inten    --     12.3148                 0.1856                 0.1539
 RamAct Fr= 1--     27.8496                 1.9140                 1.2267
  Dep-P Fr= 1--      0.3453                 0.6155                 0.5849
  Dep-U Fr= 1--      0.5133                 0.7620                 0.7381
 Alpha2 Fr= 1--      0.2482                 0.0047                 0.0038
 Beta2  Fr= 1--      2.3827                 0.2431                 0.1509
 AlphaG Fr= 1--      0.1086                 0.0039                -0.0071
 Gamma2 Fr= 1--     -5.0270                -1.3742                 2.3109
 Delta2 Fr= 1--     -2.7490                -1.7297                 1.6564
 Raman1 Fr= 1--     111.398                  7.656                  4.907
 ROA1   Fr= 1--    -570.557               -187.270                274.849
 CID1   Fr= 1--      -5.122                -24.461                 56.016
 Raman2 Fr= 1--      28.592                  2.917                  1.811
 ROA2   Fr= 1--     -98.656                -19.142                 42.210
 CID2   Fr= 1--      -3.450                 -6.562                 23.310
 Raman3 Fr= 1--      57.184                  5.834                  3.622
 ROA3   Fr= 1--    -570.557               -187.270                274.849
 CID3   Fr= 1--      -9.978                -32.100                 75.891
 RC180  Fr= 1--       0.027                  0.524                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.09  -0.05  -0.00    -0.08  -0.03  -0.01
     2   6     0.02  -0.03  -0.02     0.02   0.16  -0.09    -0.00  -0.02   0.01
     3   6    -0.01   0.01  -0.01     0.11  -0.05   0.07     0.02  -0.00   0.01
     4   6     0.01  -0.04   0.03     0.03   0.07  -0.03     0.03   0.10  -0.04
     5   6     0.01   0.01  -0.00    -0.12  -0.07  -0.01    -0.01   0.00  -0.01
     6   6    -0.02   0.01  -0.01     0.07  -0.04   0.05     0.06  -0.03   0.04
     7   6    -0.10   0.04   0.05    -0.00  -0.04   0.02     0.00   0.02  -0.01
     8   6     0.11  -0.04  -0.05     0.01   0.06  -0.03    -0.00  -0.04   0.02
     9   6    -0.06   0.01   0.01     0.03  -0.00   0.02    -0.01   0.01  -0.01
    10   6    -0.05   0.01   0.01    -0.03  -0.01  -0.01     0.01   0.01   0.00
    11   6    -0.02  -0.01  -0.04    -0.04  -0.03  -0.03    -0.05  -0.04  -0.05
    12   6     0.03  -0.03  -0.04     0.01   0.00   0.00    -0.00   0.01   0.02
    13   8     0.00   0.03  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.02  -0.01   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.05  -0.03  -0.03    -0.14  -0.08  -0.01     0.36   0.21   0.01
    16   1    -0.06   0.04  -0.05    -0.28   0.14  -0.20     0.22  -0.09   0.15
    17   1     0.04   0.03  -0.00     0.28   0.17   0.03    -0.29  -0.15  -0.02
    18   1     0.05  -0.04   0.01     0.11  -0.06   0.08    -0.35   0.17  -0.23
    19   1     0.45  -0.08  -0.13    -0.24   0.04  -0.05     0.01   0.01   0.03
    20   1     0.37  -0.14  -0.08     0.25   0.02   0.02    -0.01  -0.03  -0.03
    21   1    -0.16   0.26   0.38    -0.05  -0.46   0.25     0.03   0.23  -0.12
    22   1     0.13  -0.04  -0.02    -0.05  -0.08  -0.02     0.03   0.04   0.01
    23   1     0.03  -0.14  -0.09     0.03   0.06  -0.01    -0.02  -0.02   0.01
    24   1     0.04   0.12   0.05    -0.05  -0.05  -0.06     0.03   0.02   0.04
    25   1     0.05  -0.01  -0.15    -0.01   0.04  -0.04     0.01  -0.02   0.01
    26   1     0.13  -0.02  -0.03     0.04  -0.03   0.08    -0.02   0.02  -0.05
    27   1     0.02  -0.03   0.12     0.05   0.01   0.08    -0.03  -0.02  -0.04
    28   1     0.02   0.15   0.25     0.26   0.17   0.19     0.39   0.25   0.29
    29   6     0.01  -0.02   0.03     0.01  -0.00   0.02     0.02  -0.02   0.02
    30   1    -0.04   0.29   0.05    -0.01   0.02   0.00    -0.00  -0.03  -0.01
    31   1    -0.02  -0.06  -0.05    -0.05  -0.05  -0.04    -0.04  -0.05  -0.02
    32   1     0.01   0.08   0.01     0.01   0.02   0.01     0.01   0.08   0.02
    33   1    -0.03   0.07  -0.00    -0.03   0.03  -0.01    -0.05   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3121              1388.0537              1392.6155
 Red. masses --      1.3987                 1.3537                 1.9977
 Frc consts  --      1.5588                 1.5366                 2.2826
 IR Inten    --      0.5105                 9.5340                45.3389
 RamAct Fr= 1--      1.5923                12.3521                 5.1080
  Dep-P Fr= 1--      0.7500                 0.3755                 0.7442
  Dep-U Fr= 1--      0.8571                 0.5460                 0.8533
 Alpha2 Fr= 1--      0.0000                 0.0996                 0.0005
 Beta2  Fr= 1--      0.2275                 1.1240                 0.7265
 AlphaG Fr= 1--      0.0001                 0.0319                 0.0144
 Gamma2 Fr= 1--     -0.1357                -0.2241                 1.9132
 Delta2 Fr= 1--     -0.1680                -0.3404                -1.2913
 Raman1 Fr= 1--       6.369                 49.408                 20.432
 ROA1   Fr= 1--     -18.404                -32.407                142.349
 CID1   Fr= 1--      -2.890                 -0.656                  6.967
 Raman2 Fr= 1--       2.730                 13.488                  8.717
 ROA2   Fr= 1--      -1.913                 -2.655                 56.249
 CID2   Fr= 1--      -0.701                 -0.197                  6.452
 Raman3 Fr= 1--       5.459                 26.976                 17.435
 ROA3   Fr= 1--     -18.404                -32.407                142.349
 CID3   Fr= 1--      -3.371                 -1.201                  8.165
 RC180  Fr= 1--       0.714                  0.092                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00     0.03   0.01   0.00
     2   6     0.01   0.05  -0.03    -0.04   0.00  -0.01    -0.00   0.00   0.00
     3   6     0.04  -0.02   0.03     0.01   0.01  -0.00    -0.01  -0.00  -0.00
     4   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.02
     5   6    -0.05  -0.03  -0.00     0.01  -0.01   0.01     0.02   0.00   0.00
     6   6     0.01   0.00   0.00    -0.01   0.01  -0.01    -0.03   0.01  -0.02
     7   6     0.00   0.01  -0.01     0.12  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02  -0.13   0.07     0.03  -0.05  -0.09     0.00  -0.00  -0.01
     9   6    -0.03  -0.00  -0.04    -0.03  -0.02   0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.02   0.03    -0.02   0.02  -0.02    -0.00   0.00   0.00
    11   6     0.01   0.01   0.01    -0.01   0.00   0.01     0.09  -0.04  -0.14
    12   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.12   0.13   0.13
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.01
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.05
    15   1    -0.13  -0.07  -0.01     0.05   0.03   0.01    -0.11  -0.07  -0.00
    16   1    -0.17   0.08  -0.12     0.05  -0.01   0.02    -0.02   0.00   0.00
    17   1     0.20   0.12   0.02     0.05   0.01   0.01     0.01   0.01   0.03
    18   1     0.12  -0.05   0.08     0.04  -0.02   0.04     0.08  -0.05   0.06
    19   1    -0.27   0.07   0.08    -0.35   0.09   0.22    -0.03   0.01   0.01
    20   1     0.28  -0.08  -0.07    -0.33   0.20   0.16    -0.01   0.02   0.01
    21   1     0.07   0.58  -0.32    -0.34   0.32   0.52    -0.02   0.02   0.04
    22   1     0.07   0.19   0.06     0.07   0.09   0.06     0.00   0.02   0.01
    23   1    -0.08   0.03   0.05     0.00   0.08  -0.08    -0.01   0.03  -0.00
    24   1     0.13   0.12   0.09     0.04   0.16  -0.03     0.01   0.03  -0.01
    25   1     0.08  -0.04  -0.05    -0.02  -0.11   0.02     0.00  -0.00  -0.01
    26   1    -0.04   0.06  -0.20     0.06  -0.02   0.12     0.01  -0.00  -0.00
    27   1    -0.11   0.01  -0.16     0.01  -0.11   0.12    -0.00   0.00  -0.00
    28   1    -0.07  -0.04  -0.05     0.01  -0.01  -0.03    -0.40   0.25   0.60
    29   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.01  -0.01   0.06
    30   1     0.00   0.01   0.00    -0.00   0.02   0.00     0.06  -0.43  -0.09
    31   1     0.00   0.00  -0.01    -0.01   0.01   0.01     0.12  -0.10  -0.16
    32   1    -0.00  -0.03  -0.01    -0.00  -0.00   0.01     0.08   0.08  -0.16
    33   1     0.01  -0.03   0.00     0.00   0.00  -0.00    -0.07  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.0844              1415.9062              1424.7616
 Red. masses --      1.2792                 1.2215                 1.2489
 Frc consts  --      1.4880                 1.4428                 1.4937
 IR Inten    --      8.5611                11.1142                 7.6617
 RamAct Fr= 1--      0.0422                 1.1879                 2.5016
  Dep-P Fr= 1--      0.7210                 0.5824                 0.5511
  Dep-U Fr= 1--      0.8379                 0.7361                 0.7106
 Alpha2 Fr= 1--      0.0000                 0.0037                 0.0095
 Beta2  Fr= 1--      0.0059                 0.1457                 0.2963
 AlphaG Fr= 1--      0.0002                 0.0101                 0.0029
 Gamma2 Fr= 1--     -0.0365                -0.0162                 0.0304
 Delta2 Fr= 1--     -0.0207                 0.0920                -0.0072
 Raman1 Fr= 1--       0.169                  4.752                 10.006
 ROA1   Fr= 1--      -4.170                  1.392                  2.692
 CID1   Fr= 1--     -24.675                  0.293                  0.269
 Raman2 Fr= 1--       0.071                  1.749                  3.555
 ROA2   Fr= 1--      -0.711                 -1.125                  0.788
 CID2   Fr= 1--     -10.050                 -0.643                  0.222
 Raman3 Fr= 1--       0.142                  3.498                  7.110
 ROA3   Fr= 1--      -4.170                  1.392                  2.692
 CID3   Fr= 1--     -29.450                  0.398                  0.379
 RC180  Fr= 1--       0.676                  0.472                  0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.01  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.04   0.00  -0.00
     8   6     0.01   0.05  -0.03    -0.00  -0.00   0.00    -0.00   0.01   0.03
     9   6    -0.01  -0.10   0.00     0.00   0.00  -0.00    -0.01  -0.10  -0.02
    10   6    -0.01  -0.06   0.09     0.00   0.00  -0.00     0.01   0.04  -0.09
    11   6    -0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    15   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.01  -0.01  -0.00
    16   1     0.03  -0.02   0.02    -0.03   0.00  -0.03    -0.01   0.00  -0.01
    17   1    -0.04  -0.03  -0.00    -0.01  -0.01   0.00    -0.01  -0.00  -0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.02   0.02    -0.01   0.00  -0.01
    19   1     0.06  -0.02  -0.03    -0.02   0.00  -0.00     0.13  -0.04  -0.01
    20   1    -0.07   0.03   0.03     0.02  -0.00  -0.00     0.13  -0.02  -0.03
    21   1    -0.02  -0.14   0.08     0.00   0.01  -0.00     0.08  -0.07  -0.11
    22   1     0.03   0.30   0.20    -0.00  -0.01  -0.01     0.03   0.32   0.20
    23   1    -0.07   0.40  -0.06     0.00  -0.01   0.00    -0.12   0.39   0.01
    24   1     0.15   0.35  -0.09    -0.00  -0.01   0.00     0.20   0.34  -0.02
    25   1     0.16   0.25  -0.30    -0.00  -0.01   0.00    -0.19  -0.17   0.31
    26   1     0.01   0.00  -0.38     0.00   0.00   0.01    -0.00  -0.01   0.37
    27   1    -0.08   0.29  -0.26    -0.00  -0.01   0.00     0.14  -0.23   0.28
    28   1     0.03   0.00  -0.00    -0.04   0.01   0.04     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.01  -0.10  -0.08    -0.00  -0.00  -0.00
    30   1    -0.00   0.01   0.00     0.01  -0.05  -0.01    -0.00   0.00   0.00
    31   1    -0.00   0.01   0.02     0.06   0.25   0.52     0.00   0.00   0.00
    32   1    -0.01   0.01   0.01    -0.16   0.42   0.29    -0.00   0.00   0.00
    33   1     0.00   0.02   0.00     0.19   0.52   0.19     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.7849              1489.2183              1489.5912
 Red. masses --      2.4743                 1.0410                 1.0974
 Frc consts  --      3.1109                 1.3602                 1.4347
 IR Inten    --      9.2358                 2.7282                 3.3831
 RamAct Fr= 1--      0.2209                 7.3699                12.8567
  Dep-P Fr= 1--      0.5104                 0.7499                 0.7167
  Dep-U Fr= 1--      0.6758                 0.8571                 0.8350
 Alpha2 Fr= 1--      0.0010                 0.0000                 0.0074
 Beta2  Fr= 1--      0.0249                 1.0528                 1.7892
 AlphaG Fr= 1--     -0.0283                -0.0008                 0.0064
 Gamma2 Fr= 1--     -0.1617                -0.0812                 0.7908
 Delta2 Fr= 1--      0.5332                 0.3610                -0.1914
 Raman1 Fr= 1--       0.884                 29.479                 51.427
 ROA1   Fr= 1--       1.538                  3.760                 69.795
 CID1   Fr= 1--       1.740                  0.128                  1.357
 Raman2 Fr= 1--       0.299                 12.634                 21.471
 ROA2   Fr= 1--      -8.146                 -4.836                 20.511
 CID2   Fr= 1--     -27.281                 -0.383                  0.955
 Raman3 Fr= 1--       0.597                 25.267                 42.942
 ROA3   Fr= 1--       1.538                  3.760                 69.795
 CID3   Fr= 1--       2.575                  0.149                  1.625
 RC180  Fr= 1--       0.352                  0.714                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.02   0.06     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.02   0.13  -0.07    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     3   6    -0.13  -0.04  -0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.13  -0.07    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.13  -0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.13  -0.04  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.03   0.02     0.00   0.00   0.00    -0.05  -0.03  -0.06
     8   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.01   0.00   0.01
     9   6     0.00   0.01  -0.01    -0.04   0.00  -0.00     0.01   0.00   0.01
    10   6     0.00   0.01  -0.00     0.04  -0.00   0.00     0.01   0.01   0.01
    11   6    -0.04  -0.04   0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.27  -0.26   0.04    -0.01  -0.00   0.00    -0.02  -0.01   0.00
    16   1     0.23  -0.23   0.23     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.30  -0.28   0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.21  -0.22   0.21     0.01  -0.01   0.00    -0.02   0.01  -0.01
    19   1    -0.21   0.03  -0.03    -0.01   0.01  -0.04     0.17  -0.16   0.59
    20   1     0.22  -0.01   0.01    -0.02  -0.03  -0.01     0.25   0.54   0.21
    21   1     0.00   0.02  -0.01    -0.01  -0.06   0.04     0.03  -0.02  -0.02
    22   1    -0.03  -0.03  -0.02     0.48  -0.11  -0.05    -0.07   0.07   0.04
    23   1    -0.03  -0.01   0.07     0.01   0.27  -0.17     0.08  -0.10  -0.08
    24   1     0.03   0.00   0.04     0.08  -0.23   0.30    -0.11   0.01  -0.15
    25   1     0.02  -0.07  -0.02     0.05   0.29  -0.12     0.09  -0.00  -0.14
    26   1     0.02  -0.00   0.04    -0.48   0.07   0.06    -0.14   0.02   0.09
    27   1    -0.04  -0.02  -0.03    -0.14  -0.35   0.03    -0.14  -0.16  -0.08
    28   1     0.34   0.08   0.06    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.04   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.08  -0.03  -0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    32   1     0.01  -0.07   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    33   1    -0.03  -0.00  -0.02     0.00  -0.01   0.00    -0.01   0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2174              1497.4136              1498.9480
 Red. masses --      1.0466                 1.0567                 1.0549
 Frc consts  --      1.3731                 1.3960                 1.3964
 IR Inten    --      4.6715                 0.0938                 8.8653
 RamAct Fr= 1--      4.1942                 0.6521                 4.2816
  Dep-P Fr= 1--      0.5850                 0.7383                 0.6007
  Dep-U Fr= 1--      0.7382                 0.8494                 0.7506
 Alpha2 Fr= 1--      0.0129                 0.0001                 0.0118
 Beta2  Fr= 1--      0.5160                 0.0923                 0.5356
 AlphaG Fr= 1--     -0.0051                 0.0058                 0.0805
 Gamma2 Fr= 1--     -0.8175                -0.3636                 1.3242
 Delta2 Fr= 1--     -1.3041                -0.2416                 1.6291
 Raman1 Fr= 1--      16.777                  2.609                 17.126
 ROA1   Fr= 1--    -120.210                -42.637                179.253
 CID1   Fr= 1--      -7.165                -16.345                 10.467
 Raman2 Fr= 1--       6.192                  1.108                  6.427
 ROA2   Fr= 1--      -9.187                 -6.794                 18.748
 CID2   Fr= 1--      -1.484                 -6.133                  2.917
 Raman3 Fr= 1--      12.384                  2.216                 12.854
 ROA3   Fr= 1--    -120.210                -42.637                179.253
 CID3   Fr= 1--      -9.707                -19.242                 13.945
 RC180  Fr= 1--       0.476                  0.699                  0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.01  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.01  -0.00   0.01     0.01   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.00  -0.00
     5   6     0.01   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.03  -0.02    -0.00  -0.00   0.00
     9   6     0.00  -0.00   0.00     0.01  -0.00  -0.04    -0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.03   0.02     0.00  -0.00  -0.00
    11   6    -0.02   0.01  -0.01    -0.00   0.00   0.00    -0.03  -0.01   0.02
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.02  -0.01  -0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    16   1    -0.01   0.00  -0.01    -0.00   0.01  -0.01    -0.00  -0.01  -0.01
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.00    -0.01  -0.01  -0.00
    18   1    -0.02   0.00  -0.01    -0.02   0.01  -0.01    -0.00  -0.01   0.00
    19   1     0.00  -0.00   0.01     0.05  -0.01  -0.02    -0.01   0.00   0.00
    20   1     0.00   0.01   0.00    -0.05   0.01   0.01     0.01  -0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.01  -0.07   0.04     0.00   0.01  -0.00
    22   1    -0.01   0.00   0.00    -0.13  -0.21  -0.13     0.01   0.02   0.01
    23   1     0.00  -0.01   0.00    -0.24   0.08   0.41     0.03  -0.01  -0.04
    24   1    -0.00   0.01  -0.01     0.28   0.09   0.28    -0.03  -0.01  -0.03
    25   1     0.00  -0.00  -0.00     0.21  -0.34  -0.27    -0.02   0.03   0.03
    26   1    -0.00   0.00   0.00     0.10  -0.03   0.26    -0.01   0.00  -0.03
    27   1    -0.00  -0.00  -0.00    -0.29  -0.14  -0.26     0.03   0.02   0.03
    28   1     0.04   0.05   0.03    -0.01  -0.01  -0.01     0.06  -0.04  -0.06
    29   6    -0.04   0.02  -0.03    -0.00  -0.00   0.00    -0.03  -0.03   0.03
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.02   0.00
    31   1     0.36  -0.09  -0.36     0.06   0.02   0.01     0.59   0.17   0.12
    32   1    -0.20   0.16   0.41     0.01   0.05  -0.04     0.13   0.51  -0.39
    33   1     0.47  -0.38   0.35    -0.02  -0.03  -0.02    -0.21  -0.28  -0.18
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.6307              1512.3877              1551.9464
 Red. masses --      1.0508                 1.0555                 2.4288
 Frc consts  --      1.4091                 1.4224                 3.4467
 IR Inten    --     11.7303                10.5501                22.5853
 RamAct Fr= 1--      0.7628                 2.9741                 0.8401
  Dep-P Fr= 1--      0.5664                 0.6840                 0.7307
  Dep-U Fr= 1--      0.7232                 0.8123                 0.8444
 Alpha2 Fr= 1--      0.0026                 0.0035                 0.0003
 Beta2  Fr= 1--      0.0919                 0.4027                 0.1182
 AlphaG Fr= 1--     -0.0025                -0.0015                 0.0023
 Gamma2 Fr= 1--      0.0573                -0.0021                -0.4337
 Delta2 Fr= 1--      0.0138                -0.0551                -0.1410
 Raman1 Fr= 1--       3.051                 11.896                  3.360
 ROA1   Fr= 1--       5.944                 -1.964                -46.150
 CID1   Fr= 1--       1.948                 -0.165                -13.733
 Raman2 Fr= 1--       1.103                  4.832                  1.419
 ROA2   Fr= 1--       1.265                  0.390                 -9.281
 CID2   Fr= 1--       1.146                  0.081                 -6.541
 Raman3 Fr= 1--       2.207                  9.664                  2.838
 ROA3   Fr= 1--       5.944                 -1.964                -46.150
 CID3   Fr= 1--       2.694                 -0.203                -16.263
 RC180  Fr= 1--       0.446                  0.625                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.02
     2   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.15   0.01   0.05
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08   0.08  -0.08
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.15   0.01   0.05
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.08   0.08  -0.08
     7   6    -0.01  -0.01  -0.03    -0.01  -0.00  -0.00    -0.03  -0.00  -0.01
     8   6    -0.02  -0.00  -0.01     0.03  -0.02  -0.03    -0.00   0.00   0.01
     9   6    -0.02   0.01  -0.02     0.02   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.03  -0.02  -0.00     0.02  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
    13   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00     0.02   0.00  -0.01     0.42   0.18   0.06
    16   1     0.01  -0.00   0.01     0.01  -0.00   0.00     0.40  -0.14   0.25
    17   1     0.01   0.00   0.00     0.01   0.00   0.00     0.40   0.18   0.06
    18   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.37  -0.13   0.21
    19   1     0.04  -0.06   0.26     0.01  -0.01   0.08    -0.03   0.00  -0.03
    20   1     0.08   0.24   0.10     0.02   0.07   0.03    -0.03  -0.02  -0.02
    21   1    -0.01  -0.03  -0.05    -0.03   0.04   0.06     0.02  -0.02  -0.04
    22   1     0.32  -0.21  -0.12    -0.36  -0.14  -0.10    -0.01   0.02   0.01
    23   1    -0.10   0.24   0.06    -0.20  -0.11   0.43     0.01  -0.01  -0.02
    24   1     0.18  -0.17   0.38     0.19   0.21   0.08    -0.02  -0.00  -0.02
    25   1    -0.13  -0.06   0.22    -0.13   0.45   0.13     0.01  -0.01  -0.01
    26   1     0.33  -0.05  -0.20    -0.34   0.06  -0.21    -0.01   0.00   0.02
    27   1     0.24   0.36   0.09     0.16  -0.07   0.24    -0.02  -0.01  -0.02
    28   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.04  -0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    31   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.04  -0.00  -0.02
    32   1    -0.00   0.00   0.01     0.00   0.00  -0.00    -0.02   0.04   0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.03   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.4647              1658.2126              1805.7505
 Red. masses --      5.9912                 5.7772                 9.5433
 Frc consts  --      9.2349                 9.3594                18.3343
 IR Inten    --      0.1330                 1.1490               270.6210
 RamAct Fr= 1--      1.5752               130.7257                17.7564
  Dep-P Fr= 1--      0.7080                 0.4750                 0.1684
  Dep-U Fr= 1--      0.8290                 0.6440                 0.2883
 Alpha2 Fr= 1--      0.0011                 0.7223                 0.2619
 Beta2  Fr= 1--      0.2176                14.0317                 0.8532
 AlphaG Fr= 1--      0.0197                 0.0806                -0.4689
 Gamma2 Fr= 1--      0.2503                 3.2956                -0.6683
 Delta2 Fr= 1--     -0.0200                 0.6241                 0.8927
 Raman1 Fr= 1--       6.301                522.903                 71.026
 ROA1   Fr= 1--      23.390                336.347                -35.593
 CID1   Fr= 1--       3.712                  0.643                 -0.501
 Raman2 Fr= 1--       2.612                168.380                 10.239
 ROA2   Fr= 1--       6.168                 74.102                -23.181
 CID2   Fr= 1--       2.361                  0.440                 -2.264
 Raman3 Fr= 1--       5.223                336.761                 20.477
 ROA3   Fr= 1--      23.390                336.347                -35.593
 CID3   Fr= 1--       4.478                  0.999                 -1.738
 RC180  Fr= 1--       0.658                  0.288                 -0.423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.18  -0.07     0.28   0.09   0.06    -0.01  -0.01   0.00
     2   6    -0.03  -0.30   0.16    -0.20  -0.01  -0.07     0.00   0.00  -0.00
     3   6     0.07  -0.17   0.13    -0.26   0.05  -0.13     0.01   0.00   0.00
     4   6     0.04   0.31  -0.16     0.18   0.02   0.06    -0.02  -0.01  -0.01
     5   6    -0.11  -0.19   0.07    -0.27  -0.09  -0.06     0.01   0.01   0.00
     6   6    -0.08   0.18  -0.13     0.26  -0.05   0.13    -0.01  -0.00  -0.00
     7   6     0.00   0.03  -0.02     0.03   0.00   0.01    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.04   0.02    -0.02  -0.00  -0.01    -0.02  -0.04   0.04
    12   6     0.00   0.00  -0.01    -0.00   0.02   0.00     0.27   0.57  -0.32
    13   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.38   0.18
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.02
    15   1    -0.28  -0.03  -0.09    -0.29  -0.24   0.03     0.01   0.01   0.00
    16   1    -0.28  -0.02  -0.11     0.25  -0.21   0.23     0.03  -0.01  -0.01
    17   1     0.29   0.03   0.10     0.27   0.22  -0.02    -0.02  -0.01   0.00
    18   1     0.30   0.01   0.11    -0.24   0.20  -0.20     0.00  -0.01   0.01
    19   1     0.20  -0.03   0.04     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1    -0.21  -0.01  -0.01     0.02  -0.01   0.00     0.00   0.00   0.00
    21   1    -0.00  -0.01   0.01    -0.01   0.02   0.03     0.00  -0.00  -0.00
    22   1     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    23   1    -0.01   0.01   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.01  -0.00   0.01     0.01   0.01   0.01     0.00  -0.00   0.00
    25   1     0.01  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.01   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.00   0.00
    27   1    -0.01  -0.01  -0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    28   1     0.27   0.06   0.06    -0.02   0.00   0.01    -0.18   0.00   0.15
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    30   1    -0.00   0.02   0.00     0.00   0.01   0.00    -0.05   0.46   0.08
    31   1     0.01   0.01   0.02     0.02   0.00   0.00     0.04   0.00  -0.05
    32   1     0.01   0.01  -0.02    -0.01   0.02   0.02     0.03   0.01  -0.03
    33   1    -0.02  -0.00  -0.01     0.02   0.00   0.01    -0.02  -0.11  -0.04
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8966              3025.8887              3027.4261
 Red. masses --      1.0816                 1.0345                 1.0482
 Frc consts  --      5.7464                 5.5808                 5.6602
 IR Inten    --     21.4644                34.6048                41.8840
 RamAct Fr= 1--    135.1445                15.4217                59.1643
  Dep-P Fr= 1--      0.4463                 0.6943                 0.5562
  Dep-U Fr= 1--      0.6171                 0.8196                 0.7148
 Alpha2 Fr= 1--      0.8409                 0.0150                 0.2184
 Beta2  Fr= 1--     13.9004                 2.1065                 7.0483
 AlphaG Fr= 1--      0.0084                -0.0127                 0.1041
 Gamma2 Fr= 1--     -0.5067                 1.0833                -3.1997
 Delta2 Fr= 1--      1.1874                -1.0606                 0.8388
 Raman1 Fr= 1--     540.578                 61.687                236.657
 ROA1   Fr= 1--     -10.648                 70.060               -280.333
 CID1   Fr= 1--      -0.020                  1.136                 -1.185
 Raman2 Fr= 1--     166.804                 25.278                 84.580
 ROA2   Fr= 1--     -21.661                 34.484                -83.504
 CID2   Fr= 1--      -0.130                  1.364                 -0.987
 Raman3 Fr= 1--     333.608                 50.556                169.159
 ROA3   Fr= 1--     -10.648                 70.060               -280.333
 CID3   Fr= 1--      -0.032                  1.386                 -1.657
 RC180  Fr= 1--       0.234                  0.639                  0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00   0.01   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.04
     8   6    -0.07  -0.01  -0.04     0.00   0.00   0.00    -0.01  -0.00  -0.01
     9   6     0.01  -0.00   0.00    -0.00  -0.03  -0.00    -0.00  -0.03   0.00
    10   6     0.01   0.00   0.00    -0.00  -0.02   0.03     0.00   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    19   1    -0.05  -0.18  -0.02    -0.01  -0.04  -0.01     0.12   0.47   0.05
    20   1    -0.01   0.09  -0.16    -0.00   0.01  -0.02     0.04  -0.23   0.43
    21   1     0.84   0.13   0.43    -0.01  -0.00  -0.00     0.14   0.02   0.07
    22   1     0.00   0.02  -0.05     0.00   0.18  -0.36     0.00   0.17  -0.33
    23   1    -0.07  -0.01  -0.04     0.31   0.06   0.16     0.24   0.05   0.13
    24   1    -0.04   0.02   0.03    -0.27   0.14   0.20    -0.23   0.12   0.17
    25   1    -0.07  -0.01  -0.04    -0.35  -0.06  -0.19     0.17   0.03   0.10
    26   1    -0.00  -0.05  -0.01     0.08   0.47   0.06    -0.05  -0.29  -0.04
    27   1    -0.04   0.02   0.03     0.32  -0.17  -0.23    -0.18   0.10   0.13
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9051              3047.1764              3063.7496
 Red. masses --      1.0481                 1.0355                 1.1040
 Frc consts  --      5.6801                 5.6651                 6.1053
 IR Inten    --     18.5549                23.3992                17.9578
 RamAct Fr= 1--    579.3997               229.2636                54.3652
  Dep-P Fr= 1--      0.0109                 0.0633                 0.7499
  Dep-U Fr= 1--      0.0216                 0.1190                 0.8571
 Alpha2 Fr= 1--     12.5504                 4.3874                 0.0001
 Beta2  Fr= 1--      2.0903                 4.5473                 7.7658
 AlphaG Fr= 1--     -0.2226                -0.4488                 0.0111
 Gamma2 Fr= 1--     -0.2645                -0.4075                -0.9723
 Delta2 Fr= 1--      0.3264                 3.7058                -1.4337
 Raman1 Fr= 1--    2317.599                917.054                217.461
 ROA1   Fr= 1--     -14.951                 79.464               -139.223
 CID1   Fr= 1--      -0.006                  0.087                 -0.640
 Raman2 Fr= 1--      25.084                 54.568                 93.190
 ROA2   Fr= 1--      -8.959                -39.428                -11.866
 CID2   Fr= 1--      -0.357                 -0.723                 -0.127
 Raman3 Fr= 1--      50.167                109.136                186.380
 ROA3   Fr= 1--     -14.951                 79.464               -139.223
 CID3   Fr= 1--      -0.298                  0.728                 -0.747
 RC180  Fr= 1--      -0.957                 -0.762                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02  -0.04     0.00   0.00   0.00    -0.01  -0.08   0.04
     8   6    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.03   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    10   6     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.01  -0.01   0.01
    16   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    19   1     0.11   0.45   0.05    -0.00  -0.00  -0.00     0.17   0.67   0.10
    20   1     0.03  -0.22   0.41    -0.00   0.00  -0.00    -0.05   0.31  -0.63
    21   1     0.16   0.02   0.08    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.14   0.28     0.00   0.00  -0.00    -0.00  -0.02   0.04
    23   1    -0.27  -0.05  -0.14     0.00   0.00   0.00     0.03   0.01   0.01
    24   1     0.21  -0.11  -0.15    -0.00   0.00   0.00    -0.03   0.02   0.02
    25   1    -0.26  -0.04  -0.14     0.00   0.00   0.00    -0.03  -0.00  -0.02
    26   1     0.05   0.29   0.03    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01
    27   1     0.20  -0.10  -0.14    -0.00  -0.00  -0.00     0.03  -0.01  -0.02
    28   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.01  -0.03  -0.04    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.09   0.39  -0.22     0.00  -0.00  -0.00
    32   1     0.01   0.00   0.00     0.63   0.01   0.24     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.38  -0.07   0.43    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7138              3085.7857              3088.3421
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0223                 6.1825                 6.1862
 IR Inten    --      6.9601                15.1808                50.7954
 RamAct Fr= 1--     69.3091                38.4056               136.2774
  Dep-P Fr= 1--      0.1765                 0.7489                 0.6927
  Dep-U Fr= 1--      0.3001                 0.8564                 0.8185
 Alpha2 Fr= 1--      1.0010                 0.0007                 0.1367
 Beta2  Fr= 1--      3.4666                 5.4818                18.5895
 AlphaG Fr= 1--     -0.4669                -0.0634                 0.1239
 Gamma2 Fr= 1--     -3.1064                 0.4357                 4.0518
 Delta2 Fr= 1--     -1.8574                -0.9853                 4.7074
 Raman1 Fr= 1--     277.236                153.622                545.110
 ROA1   Fr= 1--    -357.657                 10.300                539.612
 CID1   Fr= 1--      -1.290                  0.067                  0.990
 Raman2 Fr= 1--      41.599                 65.782                223.074
 ROA2   Fr= 1--     -59.695                 18.340                 59.585
 CID2   Fr= 1--      -1.435                  0.279                  0.267
 Raman3 Fr= 1--      83.197                131.564                446.148
 ROA3   Fr= 1--    -357.657                 10.300                539.612
 CID3   Fr= 1--      -4.299                  0.078                  1.209
 RC180  Fr= 1--      -0.400                  0.713                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.03  -0.00   0.05     0.02   0.00  -0.06
    10   6     0.00   0.00   0.00     0.02  -0.06  -0.03     0.01  -0.05  -0.03
    11   6     0.02  -0.07   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.01   0.06   0.01     0.00   0.01   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.03  -0.06     0.00  -0.01   0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.00   0.01
    22   1     0.00  -0.00   0.00    -0.00   0.21  -0.40     0.00  -0.25   0.47
    23   1    -0.00  -0.00  -0.00    -0.03  -0.01  -0.00     0.10   0.02   0.03
    24   1    -0.00   0.00   0.00     0.35  -0.18  -0.25    -0.39   0.21   0.28
    25   1    -0.00  -0.00  -0.00     0.06  -0.01   0.02     0.13   0.01   0.07
    26   1     0.00  -0.00   0.00     0.09   0.51   0.05     0.08   0.47   0.05
    27   1     0.00  -0.00  -0.00    -0.40   0.20   0.29    -0.32   0.15   0.23
    28   1    -0.21   0.84  -0.46    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.14   0.08     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.04   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.4875              3096.7217              3110.8035
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2036                 6.2195                 6.2850
 IR Inten    --      7.4386                77.7085                27.5036
 RamAct Fr= 1--     12.8409                60.7734               102.5991
  Dep-P Fr= 1--      0.7408                 0.4716                 0.6737
  Dep-U Fr= 1--      0.8511                 0.6409                 0.8050
 Alpha2 Fr= 1--      0.0020                 0.3407                 0.1386
 Beta2  Fr= 1--      1.8214                 6.4919                13.7660
 AlphaG Fr= 1--      0.0503                 0.0120                 0.0879
 Gamma2 Fr= 1--     -5.0973                 2.5408                -2.8549
 Delta2 Fr= 1--     -1.3018                -1.3039                -3.9946
 Raman1 Fr= 1--      51.363                243.093                410.396
 ROA1   Fr= 1--    -531.001                202.195               -401.897
 CID1   Fr= 1--     -10.338                  0.832                 -0.979
 Raman2 Fr= 1--      21.857                 77.903                165.192
 ROA2   Fr= 1--    -111.921                 71.411                -36.560
 CID2   Fr= 1--      -5.121                  0.917                 -0.221
 Raman3 Fr= 1--      43.714                155.805                330.384
 ROA3   Fr= 1--    -531.001                202.195               -401.897
 CID3   Fr= 1--     -12.147                  1.298                 -1.216
 RC180  Fr= 1--       0.702                  0.282                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
     9   6     0.06  -0.01   0.03    -0.06   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.06  -0.01  -0.01    -0.06  -0.01  -0.01     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    19   1     0.01   0.03   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.02    -0.00   0.00  -0.00
    21   1     0.01  -0.00   0.00     0.15   0.02   0.07    -0.00  -0.00  -0.00
    22   1     0.02   0.12  -0.23    -0.01  -0.09   0.17     0.00   0.00  -0.00
    23   1    -0.50  -0.11  -0.26     0.52   0.12   0.28    -0.00  -0.00  -0.00
    24   1    -0.18   0.10   0.15     0.26  -0.14  -0.21    -0.00   0.00   0.00
    25   1     0.52   0.08   0.30     0.47   0.07   0.27    -0.00  -0.00  -0.00
    26   1     0.02   0.23   0.02     0.02   0.17   0.02    -0.00  -0.00  -0.00
    27   1     0.23  -0.13  -0.19     0.24  -0.14  -0.20    -0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.04   0.02
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.09   0.01   0.01
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.17   0.09
    32   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.65   0.02   0.26
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.43   0.08  -0.52
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.7281              3161.7791              3167.2220
 Red. masses --      1.1014                 1.0867                 1.0872
 Frc consts  --      6.3561                 6.4009                 6.4254
 IR Inten    --     12.5854                11.0243                 8.4974
 RamAct Fr= 1--     26.2177                50.2394                53.9060
  Dep-P Fr= 1--      0.6779                 0.7292                 0.6345
  Dep-U Fr= 1--      0.8080                 0.8434                 0.7764
 Alpha2 Fr= 1--      0.0334                 0.0179                 0.1129
 Beta2  Fr= 1--      3.5307                 7.0620                 6.9753
 AlphaG Fr= 1--     -0.0058                -0.0008                 0.2441
 Gamma2 Fr= 1--      0.7338                -5.8650                 4.5627
 Delta2 Fr= 1--      1.8715                 1.8459                 1.2661
 Raman1 Fr= 1--     104.871                200.958                215.624
 ROA1   Fr= 1--     130.336               -503.977                478.532
 CID1   Fr= 1--       1.243                 -2.508                  2.219
 Raman2 Fr= 1--      42.369                 84.744                 83.703
 ROA2   Fr= 1--       2.641               -155.528                 99.375
 CID2   Fr= 1--       0.062                 -1.835                  1.187
 Raman3 Fr= 1--      84.737                169.488                167.406
 ROA3   Fr= 1--     130.336               -503.977                478.532
 CID3   Fr= 1--       1.538                 -2.974                  2.859
 RC180  Fr= 1--       0.616                  0.687                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.05   0.04
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.03  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.02  -0.05   0.04    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.03   0.04  -0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.01    -0.02   0.04  -0.03    -0.31   0.61  -0.49
    16   1    -0.02  -0.03   0.01    -0.02  -0.03   0.01    -0.28  -0.41   0.13
    17   1     0.01  -0.01   0.01    -0.29   0.56  -0.43     0.01  -0.01   0.01
    18   1     0.00   0.00  -0.00    -0.35  -0.51   0.15     0.04   0.06  -0.02
    19   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.01  -0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.03   0.14  -0.07    -0.01   0.02  -0.01     0.00  -0.00   0.00
    29   6     0.00  -0.06   0.07     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    31   1    -0.16   0.74  -0.39    -0.00   0.01  -0.00     0.00  -0.02   0.01
    32   1    -0.18  -0.02  -0.06    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1     0.30   0.04  -0.33     0.00  -0.00  -0.00    -0.01  -0.00   0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7930              3185.4181              3723.5538
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5107                 6.5387                 8.6912
 IR Inten    --     18.0639                 3.2051                65.9155
 RamAct Fr= 1--    101.2395               145.3632               164.7807
  Dep-P Fr= 1--      0.1341                 0.1159                 0.2443
  Dep-U Fr= 1--      0.2364                 0.2078                 0.3927
 Alpha2 Fr= 1--      1.6292                 2.4472                 1.9843
 Beta2  Fr= 1--      3.9891                 5.0342                10.7836
 AlphaG Fr= 1--     -1.3741                 0.3686                -0.1504
 Gamma2 Fr= 1--     -8.8582                 6.5772                -4.8979
 Delta2 Fr= 1--     -2.8022                 0.8345                 0.1695
 Raman1 Fr= 1--     404.958                581.453                659.123
 ROA1   Fr= 1--    -940.057                658.112               -464.778
 CID1   Fr= 1--      -2.321                  1.132                 -0.705
 Raman2 Fr= 1--      47.869                 60.410                129.404
 ROA2   Fr= 1--    -190.179                151.176               -118.906
 CID2   Fr= 1--      -3.973                  2.503                 -0.919
 Raman3 Fr= 1--      95.739                120.820                258.807
 ROA3   Fr= 1--    -940.057                658.112               -464.778
 CID3   Fr= 1--      -9.819                  5.447                 -1.796
 RC180  Fr= 1--      -0.527                 -0.584                 -0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02  -0.03   0.03     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.01   0.00    -0.04  -0.06   0.02    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.02  -0.04   0.03    -0.00   0.01  -0.01     0.00   0.00   0.00
     6   6    -0.04  -0.05   0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04   0.01  -0.05
    15   1    -0.02   0.04  -0.03    -0.19   0.37  -0.30    -0.00   0.00  -0.00
    16   1     0.10   0.14  -0.04     0.46   0.66  -0.21     0.00  -0.00   0.00
    17   1    -0.24   0.46  -0.35     0.04  -0.08   0.06     0.00  -0.00   0.00
    18   1     0.41   0.60  -0.18    -0.08  -0.11   0.03    -0.00  -0.00   0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.58  -0.14   0.80
    31   1    -0.00   0.01  -0.00    -0.00   0.02  -0.01     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1287.498276738.777736840.31589
           X            0.99998  -0.00191   0.00550
           Y            0.00191   1.00000   0.00032
           Z           -0.00550  -0.00031   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06727     0.01285     0.01266
 Rotational constants (GHZ):           1.40174     0.26781     0.26384
 Zero-point vibrational energy     746965.1 (Joules/Mol)
                                  178.52894 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.05    56.07    71.41    81.13   124.06
          (Kelvin)            147.50   248.99   303.14   322.84   345.30
                              355.50   384.71   403.39   487.83   512.91
                              561.35   584.57   607.33   608.42   722.87
                              745.53   860.32   903.55   923.38   957.79
                             1012.13  1107.06  1119.97  1177.83  1206.60
                             1226.39  1233.06  1255.41  1295.57  1356.12
                             1378.65  1395.23  1400.98  1413.23  1459.79
                             1506.26  1559.31  1575.47  1588.17  1597.25
                             1649.11  1671.66  1730.58  1745.42  1760.32
                             1779.02  1790.62  1842.33  1883.94  1884.93
                             1941.79  1965.66  1978.77  1997.10  2003.66
                             2021.60  2037.17  2049.91  2101.74  2142.65
                             2143.19  2146.97  2154.44  2156.65  2170.58
                             2175.99  2232.90  2327.17  2385.80  2598.07
                             4320.50  4353.58  4355.79  4363.67  4384.21
                             4408.05  4418.07  4439.76  4443.44  4447.96
                             4455.49  4475.75  4502.98  4549.09  4556.93
                             4573.57  4583.11  5357.36
 
 Zero-point correction=                           0.284504 (Hartree/Particle)
 Thermal correction to Energy=                    0.300043
 Thermal correction to Enthalpy=                  0.300987
 Thermal correction to Gibbs Free Energy=         0.240275
 Sum of electronic and zero-point Energies=           -656.739092
 Sum of electronic and thermal Energies=              -656.723554
 Sum of electronic and thermal Enthalpies=            -656.722610
 Sum of electronic and thermal Free Energies=         -656.783321
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.280             58.568            127.778
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.451
 Vibrational            186.502             52.607             53.453
 Vibration     1          0.593              1.985              6.242
 Vibration     2          0.594              1.981              5.311
 Vibration     3          0.595              1.978              4.832
 Vibration     4          0.596              1.975              4.580
 Vibration     5          0.601              1.959              3.744
 Vibration     6          0.605              1.947              3.406
 Vibration     7          0.627              1.876              2.402
 Vibration     8          0.643              1.825              2.038
 Vibration     9          0.649              1.804              1.923
 Vibration    10          0.657              1.779              1.803
 Vibration    11          0.661              1.768              1.751
 Vibration    12          0.672              1.733              1.613
 Vibration    13          0.680              1.710              1.531
 Vibration    14          0.719              1.597              1.217
 Vibration    15          0.732              1.562              1.137
 Vibration    16          0.758              1.491              1.000
 Vibration    17          0.771              1.457              0.940
 Vibration    18          0.784              1.422              0.885
 Vibration    19          0.785              1.421              0.882
 Vibration    20          0.858              1.245              0.652
 Vibration    21          0.873              1.210              0.614
 Vibration    22          0.956              1.036              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.302725-110       -110.518952       -254.479292
 Total V=0       0.220635D+21         20.343674         46.843039
 Vib (Bot)       0.943697-125       -125.025168       -287.881087
 Vib (Bot)    1  0.850060D+01          0.929450          2.140137
 Vib (Bot)    2  0.530971D+01          0.725071          1.669537
 Vib (Bot)    3  0.416508D+01          0.619623          1.426734
 Vib (Bot)    4  0.366352D+01          0.563898          1.298423
 Vib (Bot)    5  0.238606D+01          0.377682          0.869644
 Vib (Bot)    6  0.200086D+01          0.301216          0.693575
 Vib (Bot)    7  0.116335D+01          0.065711          0.151306
 Vib (Bot)    8  0.942423D+00         -0.025754         -0.059301
 Vib (Bot)    9  0.879904D+00         -0.055565         -0.127942
 Vib (Bot)   10  0.817028D+00         -0.087763         -0.202082
 Vib (Bot)   11  0.790975D+00         -0.101837         -0.234489
 Vib (Bot)   12  0.723730D+00         -0.140424         -0.323337
 Vib (Bot)   13  0.685613D+00         -0.163921         -0.377442
 Vib (Bot)   14  0.547971D+00         -0.261242         -0.601532
 Vib (Bot)   15  0.515347D+00         -0.287901         -0.662916
 Vib (Bot)   16  0.460102D+00         -0.337146         -0.776308
 Vib (Bot)   17  0.436652D+00         -0.359865         -0.828620
 Vib (Bot)   18  0.415297D+00         -0.381641         -0.878761
 Vib (Bot)   19  0.414315D+00         -0.382669         -0.881128
 Vib (Bot)   20  0.326421D+00         -0.486221         -1.119566
 Vib (Bot)   21  0.312031D+00         -0.505802         -1.164653
 Vib (Bot)   22  0.250244D+00         -0.601636         -1.385319
 Vib (V=0)       0.687794D+06          5.837458         13.441244
 Vib (V=0)    1  0.901529D+01          0.954980          2.198922
 Vib (V=0)    2  0.583320D+01          0.765907          1.763565
 Vib (V=0)    3  0.469498D+01          0.671634          1.546494
 Vib (V=0)    4  0.419748D+01          0.622988          1.434484
 Vib (V=0)    5  0.293789D+01          0.468035          1.077691
 Vib (V=0)    6  0.256238D+01          0.408644          0.940937
 Vib (V=0)    7  0.176625D+01          0.247052          0.568858
 Vib (V=0)    8  0.156685D+01          0.195027          0.449065
 Vib (V=0)    9  0.151204D+01          0.179564          0.413462
 Vib (V=0)   10  0.145788D+01          0.163722          0.376984
 Vib (V=0)   11  0.143576D+01          0.157081          0.361692
 Vib (V=0)   12  0.137965D+01          0.139769          0.321830
 Vib (V=0)   13  0.134857D+01          0.129872          0.299042
 Vib (V=0)   14  0.124180D+01          0.094053          0.216565
 Vib (V=0)   15  0.121804D+01          0.085662          0.197243
 Vib (V=0)   16  0.117948D+01          0.071691          0.165074
 Vib (V=0)   17  0.116383D+01          0.065888          0.151713
 Vib (V=0)   18  0.114998D+01          0.060690          0.139743
 Vib (V=0)   19  0.114935D+01          0.060453          0.139198
 Vib (V=0)   20  0.109712D+01          0.040254          0.092688
 Vib (V=0)   21  0.108938D+01          0.037178          0.085605
 Vib (V=0)   22  0.105913D+01          0.024948          0.057444
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.275770D+07          6.440548         14.829909
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655544433322222211     
     2        87663199887643220                           051510999986210987651084321064109841877540755317606429102209538644217085532
     4        59720171861473763                           687229972091565385600905633326045475240830372998936288823260690770413366094
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXX                     
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                   X                     
     X              X                                     X                           X                        X                     
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001178    0.000001280   -0.000000052
      2        6          -0.000001173    0.000000552    0.000000244
      3        6          -0.000000695   -0.000000641   -0.000002328
      4        6           0.000006063    0.000003035    0.000003642
      5        6          -0.000004768    0.000000520    0.000001781
      6        6           0.000003605   -0.000000223    0.000000922
      7        6          -0.000000279   -0.000000691    0.000002011
      8        6           0.000002423    0.000001264   -0.000001038
      9        6          -0.000001382   -0.000003848   -0.000000662
     10        6           0.000000641   -0.000000141   -0.000002315
     11        6          -0.000006060   -0.000004646   -0.000007542
     12        6           0.000000251   -0.000001668    0.000003198
     13        8           0.000000828    0.000001403   -0.000000760
     14        8           0.000000220    0.000002144    0.000001309
     15        1           0.000000913   -0.000001477   -0.000000384
     16        1           0.000000636   -0.000000121    0.000000020
     17        1           0.000000925   -0.000000300    0.000000159
     18        1          -0.000000870   -0.000000548    0.000000174
     19        1           0.000000350   -0.000000158    0.000000025
     20        1           0.000000335   -0.000000978   -0.000001909
     21        1          -0.000000210    0.000000238    0.000000607
     22        1           0.000000739    0.000000270   -0.000000704
     23        1          -0.000000254    0.000001292   -0.000000263
     24        1          -0.000000369    0.000000341   -0.000000512
     25        1          -0.000000680   -0.000000283    0.000000673
     26        1           0.000000238    0.000000085    0.000000080
     27        1          -0.000000070    0.000000076    0.000000447
     28        1           0.000000639   -0.000000423    0.000000682
     29        6          -0.000001262    0.000004214    0.000003095
     30        1           0.000000909   -0.000000468    0.000000046
     31        1          -0.000001047   -0.000000100   -0.000000501
     32        1           0.000000423    0.000000418   -0.000000173
     33        1           0.000000160   -0.000000422    0.000000027
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007542 RMS     0.000001834
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.219538D+03  0.587940D+01  0.728716D+01
      2   0.587940D+01  0.157783D+03 -0.840975D+01
      3   0.728716D+01 -0.840975D+01  0.142856D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.764495D+01  0.439741D+01 -0.117694D+01
      2  -0.119438D+02  0.108831D+02 -0.504712D+02
      3  -0.351342D+02  0.508391D+02 -0.196804D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.196002D+03  0.193142D+02 -0.475481D+02
      2   0.846317D+02 -0.209831D+02 -0.140063D+01
      3   0.111370D+03  0.166892D+01  0.489487D+02
      4   0.290344D+02 -0.110402D+03  0.306229D+02
      5   0.134228D+02  0.334434D+02 -0.959561D+02
      6   0.741727D+01  0.243263D+02  0.276424D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.893850D+01  0.142395D+01  0.240428D+01  0.120318D+02 -0.313869D+00
      2   0.142395D+01 -0.193749D+01 -0.116416D+00 -0.313869D+00  0.217918D+01
      3   0.240428D+01 -0.116416D+00  0.512045D+00  0.125005D+01  0.965730D+00
                 6             7             8             9            10 
      1   0.125005D+01 -0.630860D+00 -0.192523D+01  0.969671D-01 -0.305489D+02
      2   0.965730D+00 -0.192523D+01  0.100011D+01  0.625769D+00 -0.854168D-02
      3  -0.708331D+00  0.969671D-01  0.625769D+00 -0.394429D+01 -0.378210D+01
                11            12            13            14            15 
      1  -0.854168D-02 -0.378210D+01  0.228073D+00 -0.152898D+01 -0.172447D+01
      2  -0.261150D+01  0.864282D+00 -0.152898D+01 -0.162722D+01 -0.391087D+00
      3   0.864282D+00 -0.187071D+01 -0.172447D+01 -0.391087D+00 -0.111871D+01
                16            17            18            19            20 
      1  -0.784136D+01 -0.167162D+01 -0.437427D+01 -0.660936D+01 -0.548319D+00
      2  -0.167162D+01 -0.977797D+00 -0.528754D+00 -0.548319D+00  0.846672D+00
      3  -0.437427D+01 -0.528754D+00 -0.313739D+01 -0.266943D+01 -0.131618D+01
                21            22            23            24            25 
      1  -0.266943D+01  0.966045D+01  0.458398D+00  0.283118D+01 -0.960831D+01
      2  -0.131618D+01  0.458398D+00  0.277565D+01  0.112825D+01 -0.843143D+00
      3   0.223713D+01  0.283118D+01  0.112825D+01  0.747334D+00 -0.639179D+00
                26            27            28            29            30 
      1  -0.843143D+00 -0.639179D+00  0.268699D+02  0.172469D+01  0.503479D+01
      2   0.192869D+01  0.911097D+00  0.172469D+01  0.230488D+01 -0.171434D+00
      3   0.911097D+00 -0.190157D+01  0.503479D+01 -0.171434D+00  0.266135D+01
                31            32            33            34            35 
      1   0.122750D+01  0.123795D+01  0.182929D+01  0.488136D+01  0.217597D+01
      2   0.123795D+01 -0.497046D+00  0.797317D+00  0.217597D+01  0.199829D+01
      3   0.182929D+01  0.797317D+00  0.200190D+01  0.548267D+01  0.672723D+00
                36            37            38            39            40 
      1   0.548267D+01 -0.105197D+02 -0.133649D+01 -0.308239D+01 -0.132410D+02
      2   0.672723D+00 -0.133649D+01  0.349121D+01  0.893634D-01 -0.991894D+00
      3   0.236341D+01 -0.308239D+01  0.893634D-01 -0.659176D+00 -0.116293D+01
                41            42            43            44            45 
      1  -0.991894D+00 -0.116293D+01  0.372716D+00  0.194572D+01  0.354382D+00
      2  -0.166428D+01 -0.148263D+01  0.194572D+01 -0.985070D+00 -0.928342D+00
      3  -0.148263D+01  0.101350D+00  0.354382D+00 -0.928342D+00  0.412832D+01
                46            47            48            49            50 
      1   0.802001D+01  0.521878D+00  0.277865D+01 -0.841143D+01  0.973270D+00
      2   0.521878D+00 -0.167147D+01  0.148640D+01  0.973270D+00 -0.209558D+01
      3   0.277865D+01  0.148640D+01 -0.188075D+01 -0.266256D+01 -0.116828D+01
                51            52            53            54            55 
      1  -0.266256D+01  0.113872D+02  0.360800D+00 -0.142033D+00  0.180569D+02
      2  -0.116828D+01  0.360800D+00 -0.336557D+01 -0.130606D+01 -0.150434D+01
      3  -0.100779D+01 -0.142033D+00 -0.130606D+01  0.149056D+01 -0.679752D+00
                56            57            58            59            60 
      1  -0.150434D+01 -0.679752D+00 -0.409351D+01  0.352255D+01  0.123143D+01
      2   0.202914D+01  0.857768D+00  0.352255D+01  0.503645D+01  0.228065D+01
      3   0.857768D+00  0.149651D+01  0.123143D+01  0.228065D+01 -0.273410D+01
                61            62            63            64            65 
      1  -0.437517D+01  0.144738D+01  0.338823D+01 -0.151584D+01  0.296683D+01
      2   0.144738D+01  0.978435D+00 -0.213075D+01  0.296683D+01 -0.116162D+01
      3   0.338823D+01 -0.213075D+01  0.493454D+01  0.545487D+01 -0.716152D+00
                66            67            68            69            70 
      1   0.545487D+01  0.779269D+01 -0.123509D+01 -0.904954D+00  0.138898D+02
      2  -0.716152D+00 -0.123509D+01 -0.461207D+01 -0.698632D+00 -0.169940D+01
      3   0.439674D+00 -0.904954D+00 -0.698632D+00  0.333118D+01  0.643999D+00
                71            72            73            74            75 
      1  -0.169940D+01  0.643999D+00  0.263440D+00 -0.317079D+01 -0.469114D+01
      2  -0.102893D+01  0.348790D+01 -0.317079D+01  0.173147D+01  0.126134D+01
      3   0.348790D+01 -0.138646D+01 -0.469114D+01  0.126134D+01  0.204563D+00
                76            77            78            79            80 
      1  -0.396394D+01  0.100125D+01  0.875665D+00 -0.650938D+01  0.168133D+01
      2   0.100125D+01  0.244437D+01  0.869138D+00  0.168133D+01  0.129363D+01
      3   0.875665D+00  0.869138D+00 -0.361843D+01  0.796764D+00 -0.456365D+01
                81            82            83            84            85 
      1   0.796764D+00  0.587465D+00 -0.210604D+01 -0.519286D+01 -0.331931D+01
      2  -0.456365D+01 -0.210604D+01  0.135941D+01  0.837312D+00  0.185899D+01
      3   0.274852D+01 -0.519286D+01  0.837312D+00  0.874957D+00  0.181726D+01
                86            87            88            89            90 
      1   0.185899D+01  0.181726D+01 -0.678465D+01  0.149211D+01  0.412393D+00
      2   0.655667D+01  0.137580D+00  0.149211D+01  0.119059D+01 -0.280257D+01
      3   0.137580D+00 -0.292092D+01  0.412393D+00 -0.280257D+01  0.267479D+00
                91            92            93            94            95 
      1  -0.570254D+01  0.715940D+00  0.172266D+00 -0.150894D+01 -0.228468D+01
      2   0.715940D+00 -0.119744D+01 -0.510255D+00 -0.228468D+01  0.197920D+01
      3   0.172266D+00 -0.510255D+00 -0.208986D+01 -0.214581D+01 -0.388399D+01
                96            97            98            99           100 
      1  -0.214581D+01  0.431350D+01 -0.140259D+01 -0.508563D+01 -0.212110D+01
      2  -0.388399D+01 -0.140259D+01 -0.309592D+01 -0.318451D+00 -0.178969D+01
      3  -0.195814D+01 -0.508563D+01 -0.318451D+00 -0.542851D+00 -0.146456D+00
               101           102           103           104           105 
      1  -0.178969D+01 -0.146456D+00 -0.495960D+01 -0.224997D+01  0.298001D+01
      2  -0.132587D+01  0.219250D+00 -0.224997D+01 -0.216976D+01  0.242243D+01
      3   0.219250D+00  0.152414D+01  0.298001D+01  0.242243D+01 -0.219590D+01
               106           107           108           109           110 
      1  -0.746362D+00  0.749045D+00  0.183447D+01  0.516655D+01  0.365805D+01
      2   0.749045D+00  0.246811D+01 -0.410021D+00  0.365805D+01  0.240933D+01
      3   0.183447D+01 -0.410021D+00 -0.189516D+01 -0.153556D+01 -0.347267D+00
               111           112           113           114           115 
      1  -0.153556D+01  0.932897D+01  0.389011D+01 -0.221500D+01 -0.373333D+01
      2  -0.347267D+00  0.389011D+01  0.792037D+01 -0.164102D+01 -0.990179D+00
      3   0.570419D+00 -0.221500D+01 -0.164102D+01  0.355201D+01  0.177556D+01
               116           117           118           119           120 
      1  -0.990179D+00  0.177556D+01 -0.111306D+01 -0.113197D+01  0.231016D+01
      2  -0.237191D+01  0.217210D+01 -0.113197D+01  0.294645D-01 -0.739172D+00
      3   0.217210D+01 -0.224442D+01  0.231016D+01 -0.739172D+00 -0.316530D+01
               121           122           123           124           125 
      1  -0.459204D+01  0.230659D+01  0.137680D+00  0.344752D+01 -0.104449D+01
      2   0.230659D+01 -0.523351D+01 -0.169353D+01 -0.104449D+01  0.205744D+00
      3   0.137680D+00 -0.169353D+01 -0.962163D+00 -0.334268D+01 -0.440956D+00
               126           127           128           129           130 
      1  -0.334268D+01 -0.180096D+01  0.132960D+01 -0.117554D+01  0.156748D+01
      2  -0.440956D+00  0.132960D+01 -0.982610D+00  0.936304D+00 -0.152424D+01
      3   0.349589D+01 -0.117554D+01  0.936304D+00 -0.124597D+01  0.112375D+01
               131           132           133           134           135 
      1  -0.152424D+01  0.112375D+01 -0.196201D+01  0.162821D+01 -0.126896D+01
      2   0.409052D+01 -0.275577D+01  0.162821D+01 -0.284247D+01  0.221250D+01
      3  -0.275577D+01  0.288826D+01 -0.126896D+01  0.221250D+01 -0.257789D+01
               136           137           138           139           140 
      1   0.369853D+01  0.199844D+01 -0.402911D+00  0.279043D+01  0.256696D+01
      2   0.199844D+01  0.205222D+01 -0.379525D+00  0.256696D+01  0.447061D+01
      3  -0.402911D+00 -0.379525D+00  0.592073D+00 -0.960284D+00 -0.141490D+01
               141           142           143           144           145 
      1  -0.960284D+00 -0.726484D+00 -0.808274D+00  0.428028D+00  0.191840D+01
      2  -0.141490D+01 -0.808274D+00 -0.185962D+01  0.766325D+00 -0.146070D+01
      3   0.130931D+01  0.428028D+00  0.766325D+00 -0.744793D+00  0.146520D+01
               146           147           148           149           150 
      1  -0.146070D+01  0.146520D+01 -0.157490D+01  0.176036D+01 -0.124872D+01
      2   0.145715D+01 -0.115120D+01  0.176036D+01 -0.527807D+01  0.295765D+01
      3  -0.115120D+01  0.134004D+01 -0.124872D+01  0.295765D+01 -0.277804D+01
               151           152           153           154           155 
      1   0.155460D+01 -0.159405D+01  0.115365D+01 -0.328539D+01 -0.238404D+01
      2  -0.159405D+01  0.330339D+01 -0.220134D+01 -0.238404D+01 -0.289290D+01
      3   0.115365D+01 -0.220134D+01  0.205302D+01  0.529075D+00  0.373048D+00
               156           157           158           159           160 
      1   0.529075D+00 -0.316426D+01 -0.320002D+01  0.984375D+00  0.553447D+00
      2   0.373048D+00 -0.320002D+01 -0.603713D+01  0.139693D+01  0.644979D+00
      3  -0.369825D+00  0.984375D+00  0.139693D+01 -0.111699D+01 -0.354798D+00
               161           162           163           164           165 
      1   0.644979D+00 -0.354798D+00 -0.273378D+01 -0.161213D+01 -0.344116D+00
      2   0.193451D+01 -0.726607D+00 -0.161213D+01 -0.163141D+01 -0.720574D+00
      3  -0.726607D+00  0.504312D+00 -0.344116D+00 -0.720574D+00 -0.791533D+00
               166           167           168           169           170 
      1  -0.448174D+01 -0.269266D+01 -0.138814D+01  0.176585D+01 -0.580518D+00
      2  -0.269266D+01 -0.696478D+01 -0.256403D+01 -0.580518D+00 -0.101617D+01
      3  -0.138814D+01 -0.256403D+01 -0.186830D+01 -0.763422D+00 -0.105416D+01
               171           172           173           174           175 
      1  -0.763422D+00 -0.124942D+01  0.664175D+00 -0.110068D+01  0.388885D+01
      2  -0.105416D+01  0.664175D+00 -0.411031D+00  0.327100D-01 -0.937693D+00
      3  -0.143468D+01 -0.110068D+01  0.327100D-01 -0.980286D+00  0.942682D+00
               176           177           178           179           180 
      1  -0.937693D+00  0.942682D+00 -0.237452D+01  0.261122D+00 -0.241882D+01
      2   0.566233D+00 -0.141904D+01  0.261122D+00 -0.116866D+01  0.116370D+01
      3  -0.141904D+01  0.291500D+01 -0.241882D+01  0.116370D+01 -0.823738D+01
               181           182           183           184           185 
      1  -0.109538D+02 -0.108771D+01 -0.362023D+01 -0.211333D+01 -0.154498D+01
      2  -0.108771D+01 -0.125865D+01 -0.175321D+00 -0.154498D+01  0.427160D-01
      3  -0.362023D+01 -0.175321D+00 -0.234921D+01 -0.985291D-01 -0.524354D+00
               186           187           188           189           190 
      1  -0.985291D-01 -0.556001D+01  0.454848D-01 -0.267723D+01 -0.216540D+00
      2  -0.524354D+00  0.454848D-01 -0.691413D+00 -0.694305D+00  0.933612D+00
      3  -0.796445D+00 -0.267723D+01 -0.694305D+00 -0.217783D+01 -0.393826D+00
               191           192           193           194           195 
      1   0.933612D+00 -0.393826D+00  0.109192D+01 -0.640864D+00  0.200234D+00
      2  -0.258499D+00 -0.147305D-01 -0.640864D+00  0.303716D+01 -0.211303D+01
      3  -0.147305D-01 -0.231979D+00  0.200234D+00 -0.211303D+01  0.245891D+01
               196           197           198           199           200 
      1  -0.129349D+01  0.645557D+00 -0.527106D+00  0.586422D+01  0.201091D+00
      2   0.645557D+00 -0.378866D+01  0.325032D+01  0.201091D+00  0.209238D+01
      3  -0.527106D+00  0.325032D+01 -0.528605D+01  0.153337D+01  0.496437D+00
               201           202           203           204           205 
      1   0.153337D+01  0.530772D+00  0.735142D+00  0.219961D+00  0.217590D+01
      2   0.496437D+00  0.735142D+00  0.954533D+00  0.331519D+00  0.308452D+00
      3   0.150985D+01  0.219961D+00  0.331519D+00  0.771884D+00  0.854908D+00
               206           207           208           209           210 
      1   0.308452D+00  0.854908D+00 -0.616601D+01  0.360787D+01  0.253274D+01
      2   0.112618D+01  0.111575D+01  0.360787D+01 -0.328883D+01 -0.129780D+01
      3   0.111575D+01  0.129835D+01  0.253274D+01 -0.129780D+01 -0.186986D+01
               211           212           213           214           215 
      1   0.255975D+01 -0.257240D+01 -0.108040D+01  0.359780D+01 -0.208060D+01
      2  -0.257240D+01  0.266041D+01  0.110445D+01 -0.208060D+01  0.225008D+01
      3  -0.108040D+01  0.110445D+01  0.122934D+01 -0.221150D+01  0.193814D+01
               216           217           218           219           220 
      1  -0.221150D+01  0.593371D+01  0.423689D+00  0.120559D+01  0.540910D+00
      2   0.193814D+01  0.423689D+00  0.852706D+00 -0.167201D+00  0.160047D+00
      3   0.192606D+01  0.120559D+01 -0.167201D+00  0.258811D+01  0.775971D-01
               221           222           223           224           225 
      1   0.160047D+00  0.775971D-01  0.201518D+01 -0.532656D-01  0.112041D+01
      2  -0.433208D+00  0.439870D+00 -0.532656D-01  0.632337D+00  0.123242D+00
      3   0.439870D+00  0.765714D+00  0.112041D+01  0.123242D+00  0.269162D+01
               226           227           228           229           230 
      1  -0.107267D+01 -0.117225D+01  0.658690D+00 -0.223873D+01 -0.214495D+01
      2  -0.117225D+01 -0.143577D+01  0.538733D-01 -0.214495D+01 -0.842292D+01
      3   0.658690D+00  0.538733D-01 -0.424581D+00  0.494718D+00  0.932768D+00
               231           232           233           234           235 
      1   0.494718D+00  0.160415D+00 -0.161177D+00 -0.248150D+00 -0.687263D+01
      2   0.932768D+00 -0.161177D+00 -0.506449D+00 -0.562575D+00  0.882817D+00
      3  -0.142625D+01 -0.248150D+00 -0.562575D+00  0.145601D-01  0.426538D+01
               236           237           238           239           240 
      1   0.882817D+00  0.426538D+01  0.266312D+01 -0.136610D+01 -0.161934D+01
      2  -0.132981D+01 -0.475690D+00 -0.136610D+01  0.443997D+00  0.790310D+00
      3  -0.475690D+00 -0.336189D+01 -0.161934D+01  0.790310D+00  0.196343D+01
               241           242           243           244           245 
      1   0.408301D+01 -0.561919D+00 -0.343071D+01 -0.222235D+00 -0.153954D+01
      2  -0.561919D+00  0.641450D+00  0.741545D+00 -0.153954D+01  0.860000D+00
      3  -0.343071D+01  0.741545D+00  0.382899D+01  0.367464D+00 -0.362078D+00
               246           247           248           249           250 
      1   0.367464D+00 -0.299228D+01  0.136322D+01 -0.775998D+00  0.739758D+00
      2  -0.362078D+00  0.136322D+01 -0.442021D+01  0.193951D+01 -0.509432D+00
      3   0.756337D+00 -0.775998D+00  0.193951D+01 -0.210830D+01  0.139143D+01
               251           252           253           254           255 
      1  -0.509432D+00  0.139143D+01 -0.700219D+01 -0.155478D+01 -0.603269D+01
      2   0.208732D+01 -0.140999D+01 -0.155478D+01  0.609829D+00 -0.486703D+00
      3  -0.140999D+01  0.249156D+01 -0.603269D+01 -0.486703D+00  0.122775D+01
               256           257           258           259           260 
      1   0.282136D+01  0.219265D+01  0.106398D+01 -0.308512D+01  0.480350D+00
      2   0.219265D+01 -0.162310D+01  0.338603D+01  0.480350D+00  0.334228D+01
      3   0.106398D+01  0.338603D+01  0.234039D+01  0.263353D+01  0.976510D+00
               261           262           263           264           265 
      1   0.263353D+01  0.474640D+01 -0.163160D+01 -0.328045D+01  0.508203D+00
      2   0.976510D+00 -0.163160D+01  0.135185D+01  0.102019D+01  0.515461D+00
      3  -0.101895D+01 -0.328045D+01  0.102019D+01  0.311902D+01 -0.501702D+00
               266           267           268           269           270 
      1   0.515461D+00 -0.501702D+00 -0.462439D+01  0.155415D+01  0.449255D+01
      2  -0.795075D+00 -0.443420D+00  0.155415D+01 -0.179109D+01 -0.170625D+01
      3  -0.443420D+00  0.379280D+00  0.449255D+01 -0.170625D+01 -0.563777D+01
               271           272           273           274           275 
      1   0.287191D+00  0.718724D+00  0.155795D+00  0.164919D+01  0.106257D+00
      2   0.718724D+00 -0.727285D+00 -0.404847D-01  0.106257D+00  0.588617D+01
      3   0.155795D+00 -0.404847D-01 -0.408838D+00  0.320220D+00 -0.394066D+00
               276           277           278           279           280 
      1   0.320220D+00 -0.939323D+00 -0.141351D+00 -0.521761D+00  0.111670D+02
      2  -0.394066D+00 -0.141351D+00 -0.204796D+01  0.264635D+00  0.210004D+01
      3   0.153120D+01 -0.521761D+00  0.264635D+00 -0.111563D+01  0.515154D+01
               281           282           283           284           285 
      1   0.210004D+01  0.515154D+01  0.371810D+00  0.102877D+01  0.202304D+00
      2   0.162982D+01  0.131636D+01  0.102877D+01  0.638887D+00  0.390179D+00
      3   0.131636D+01  0.367695D+01  0.202304D+00  0.390179D+00 -0.127451D+00
               286           287           288           289           290 
      1   0.368932D+01  0.734279D+00  0.268878D+01 -0.181214D+01  0.167548D+00
      2   0.734279D+00  0.362534D+00  0.670518D+00  0.167548D+00 -0.985347D+00
      3   0.268878D+01  0.670518D+00  0.286122D+01  0.211030D+01 -0.656442D+00
               291           292           293           294           295 
      1   0.211030D+01 -0.598325D+00 -0.449608D+00 -0.935511D-01  0.216745D+01
      2  -0.656442D+00 -0.449608D+00  0.190838D+00  0.317477D+00 -0.876859D-01
      3  -0.363112D+01 -0.935511D-01  0.317477D+00 -0.840231D+00 -0.154248D+01
               296           297 
      1  -0.876859D-01 -0.154248D+01
      2   0.793986D+00  0.692005D+00
      3   0.692005D+00  0.618471D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.827327D+00  0.322698D+01 -0.987121D-01  0.536892D+01  0.929336D+00
      2   0.480033D+01 -0.402248D+01  0.427092D+01 -0.108256D+01 -0.526146D+01
      3  -0.135670D+02 -0.678669D+01  0.211414D+01 -0.116133D+01 -0.184455D+01
                 6             7             8             9            10 
      1  -0.219915D+01  0.551834D+01  0.256775D+01  0.112099D+01 -0.452999D+01
      2   0.205039D+01 -0.119991D+02 -0.318121D+01  0.779837D+00 -0.737854D+01
      3   0.956980D+00  0.587744D+01  0.112299D+01 -0.632736D+00  0.189756D+02
                11            12            13            14            15 
      1  -0.229720D+01  0.594421D+00 -0.962568D+01  0.501030D+01 -0.144125D+01
      2   0.114516D+01 -0.277549D+01  0.666982D+01  0.430784D+01 -0.191603D+01
      3   0.149512D+01  0.205533D+01  0.196388D+02  0.188348D+01  0.216859D+01
                16            17            18            19            20 
      1   0.319679D+01  0.644763D+01 -0.574092D+01  0.118682D+00 -0.109720D+01
      2  -0.151397D+02 -0.199181D+01 -0.270197D+00  0.449551D+01 -0.498867D+00
      3  -0.688213D+00  0.149104D+01  0.877118D+00  0.622820D+01 -0.421824D+01
                21            22            23            24            25 
      1  -0.156624D-01 -0.190803D+01 -0.203537D+01 -0.257057D+01 -0.657341D+01
      2   0.146613D+01 -0.640079D+01  0.203729D+01 -0.114965D+01 -0.102235D+02
      3   0.282246D+01 -0.112160D+01  0.716534D+00 -0.146758D+01  0.976968D+01
                26            27            28            29            30 
      1   0.177135D+01 -0.411655D+01  0.248533D+01 -0.452455D+01  0.366260D+01
      2   0.153695D+01 -0.268041D+01  0.508059D+01  0.192478D+01 -0.678954D-01
      3  -0.175411D+01  0.476018D+01 -0.155892D+02  0.100361D+01 -0.436562D+01
                31            32            33            34            35 
      1  -0.656564D+01  0.421101D+01 -0.117187D+01  0.777164D+01  0.684121D+01
      2   0.479294D+01  0.432971D+01  0.179249D+01 -0.107143D+02 -0.100434D+01
      3   0.222464D+02  0.395774D+01  0.191813D+01 -0.871217D+01  0.147864D+01
                36            37            38            39            40 
      1  -0.195826D+01 -0.371182D+01  0.104980D+01 -0.808340D+00  0.712870D+00
      2  -0.572590D+01  0.339867D+00 -0.389504D+01  0.370187D+01 -0.531174D-03
      3  -0.579803D+01  0.448431D+01 -0.404620D+01  0.517872D+01  0.129506D+02
                41            42            43            44            45 
      1   0.496030D+00 -0.187281D+01  0.379556D+01  0.122796D+01  0.446276D+01
      2  -0.401315D+01 -0.388105D+00 -0.959969D+01 -0.301874D+01  0.996084D+00
      3  -0.285584D+00  0.328465D+01  0.473668D+01  0.349707D+00  0.391435D+00
                46            47            48            49            50 
      1   0.466945D+01  0.955066D+00 -0.208112D+01 -0.504082D+01 -0.807659D+00
      2   0.644774D+01 -0.102403D+01  0.168104D+01 -0.840749D+01  0.204281D+01
      3  -0.658598D+01 -0.377955D+01 -0.180284D+01  0.987399D+01 -0.523612D+00
                51            52            53            54            55 
      1  -0.363135D+01 -0.667881D+01  0.268666D+01 -0.163567D+01  0.285954D+01
      2   0.133397D-01 -0.701514D+01  0.308807D+01 -0.281650D+01  0.216681D+02
      3   0.153577D+01 -0.554363D+01 -0.301877D+01  0.131738D+01 -0.164122D+02
                56            57            58            59            60 
      1  -0.376006D+00 -0.136187D+01 -0.337711D+01 -0.710796D+01 -0.695441D+01
      2  -0.445677D+01 -0.293957D+01 -0.899346D+01 -0.138330D+01  0.110089D+02
      3   0.517078D+01  0.301048D+01  0.228182D+02  0.145259D+02  0.702681D+01
                61            62            63            64            65 
      1  -0.188614D+01 -0.164355D+01  0.751681D+01 -0.241402D+01 -0.121623D+00
      2  -0.252973D+02  0.105636D+02 -0.119122D+02 -0.328009D+02  0.425983D+01
      3   0.798812D+01  0.282207D+01 -0.111730D+02  0.190395D+02 -0.817156D+01
                66            67            68            69            70 
      1   0.358598D+00  0.428704D+01  0.498153D+00 -0.370594D+01 -0.981934D-01
      2   0.212974D+01  0.109927D+02  0.420668D+00 -0.134141D+02  0.488309D+01
      3  -0.242177D+01 -0.388254D+01 -0.193508D+02 -0.384078D+01 -0.121788D+02
                71            72            73            74            75 
      1   0.317224D+01 -0.506161D+00  0.948960D+01 -0.282834D+01 -0.898865D+00
      2  -0.154003D+02  0.635595D+01  0.205095D+02 -0.431077D+01  0.105927D+01
      3  -0.496023D+01  0.158271D+02 -0.173406D+02 -0.349487D+01 -0.458601D+01
                76            77            78            79            80 
      1  -0.213806D+01 -0.265161D+01  0.679229D+01 -0.331093D+01  0.133802D+02
      2  -0.399199D+01 -0.307096D+01  0.138734D+02 -0.550608D+01  0.177074D+02
      3  -0.273839D+01  0.135821D+02  0.570072D+01 -0.506755D+01  0.881571D+01
                81            82            83            84            85 
      1  -0.639865D+01 -0.597402D+01  0.305913D+01  0.262558D+01  0.553219D+01
      2  -0.107617D+02  0.257456D+02 -0.225094D+01  0.835210D+01 -0.510947D+01
      3  -0.178294D+02 -0.887728D+01  0.521703D+01  0.845579D+01  0.117443D+02
                86            87            88            89            90 
      1   0.122622D+02 -0.490548D+01  0.370465D+01  0.119110D+01 -0.469965D+01
      2  -0.244158D+01  0.104632D+02  0.650226D+01  0.105118D+02 -0.256020D+01
      3   0.269169D+02 -0.223636D+00  0.126577D+02  0.463131D+01 -0.129342D+02
                91            92            93            94            95 
      1  -0.189652D+01 -0.228835D+01 -0.575715D+00 -0.517667D+01  0.186716D+01
      2   0.128969D+02 -0.122234D+01 -0.572539D+00 -0.366867D+01 -0.999460D+01
      3  -0.517158D+00 -0.138681D+01  0.145796D+01  0.149183D+02 -0.719748D+01
                96            97            98            99           100 
      1  -0.829792D+01  0.159769D+01  0.401607D+00  0.607298D+00  0.220354D+01
      2  -0.334911D+01 -0.297299D+02 -0.100006D+01  0.189225D+01 -0.243222D+02
      3   0.130607D+02  0.338066D+01  0.112729D+02  0.254643D+01  0.316504D+01
               101           102           103           104           105 
      1   0.695416D+01  0.273535D+01  0.248373D+01  0.281537D+01  0.722771D+01
      2   0.322760D+01  0.852693D+01  0.120558D+02  0.845889D+01 -0.100294D+02
      3   0.172144D+01 -0.111284D+01  0.601350D+01  0.123962D+02 -0.919742D+01
               106           107           108           109           110 
      1  -0.137403D+01  0.430510D+01 -0.141987D+00 -0.143069D+01 -0.348918D+01
      2  -0.134380D+01 -0.198537D+01  0.710093D+01  0.748426D+00 -0.115161D+01
      3   0.820009D-01 -0.188681D+02 -0.368787D+00 -0.105940D+02 -0.122051D+02
               111           112           113           114           115 
      1  -0.328861D+01  0.334420D+00 -0.573593D+01 -0.823779D+01 -0.101842D+01
      2   0.542913D+01 -0.104391D+02 -0.763762D+01  0.146944D+02  0.636784D+01
      3   0.971625D+00 -0.439467D+01 -0.331113D+02  0.504452D+01 -0.175592D+01
               116           117           118           119           120 
      1   0.382011D+01  0.180901D+01  0.268914D+01 -0.424796D+00 -0.707452D+00
      2   0.894187D+01 -0.124410D+02  0.104009D+02 -0.418661D+01 -0.844127D+01
      3   0.127889D+02 -0.792654D+01  0.495726D+01 -0.218268D+01  0.914737D+00
               121           122           123           124           125 
      1   0.296897D+01  0.334033D+01 -0.785719D+01 -0.179101D+01  0.139628D+01
      2   0.938601D+00 -0.534257D+01 -0.510539D+01 -0.107316D+02 -0.240440D+01
      3  -0.625661D+00  0.204404D+02  0.433882D+01  0.353026D+01  0.106797D+01
               126           127           128           129           130 
      1   0.242797D+01 -0.950493D+00  0.108616D+01  0.104432D+01  0.135893D+01
      2   0.100356D+02 -0.326477D+01  0.948878D+00  0.582701D-01  0.231218D+01
      3   0.484300D+01 -0.323999D+01  0.406319D+00 -0.324541D+00  0.280213D+01
               131           132           133           134           135 
      1  -0.337482D+01 -0.143899D+01 -0.152184D+01  0.417657D+01 -0.799655D-01
      2   0.311473D+00 -0.187959D+01 -0.427195D+01  0.278633D+00  0.120092D+01
      3   0.145116D+01 -0.631944D+00 -0.235707D+01 -0.922879D+00  0.180830D+00
               136           137           138           139           140 
      1  -0.161246D+01 -0.242032D+01 -0.170360D+01 -0.117384D+01 -0.170702D+01
      2   0.444135D+01  0.166462D+01  0.802698D+00  0.250203D+01  0.147247D+01
      3   0.634527D+01  0.365844D+00 -0.318417D+00  0.506096D+01 -0.126029D+01
               141           142           143           144           145 
      1  -0.296490D+01 -0.185517D+00  0.190967D+01  0.277422D-01  0.174794D+01
      2   0.141096D+01 -0.902667D+00 -0.490764D+00 -0.686297D+00 -0.116498D+01
      3  -0.167454D+00  0.652049D+00  0.126231D+01  0.283687D+00 -0.467054D+01
               146           147           148           149           150 
      1  -0.413847D+00  0.277605D+01 -0.773910D+00  0.367178D+00 -0.475099D+01
      2   0.308799D-01  0.553386D+00  0.955712D+00  0.666670D+00 -0.210511D+01
      3   0.739568D+00 -0.181680D+01  0.388158D+01  0.695307D-01  0.965255D+00
               151           152           153           154           155 
      1   0.562995D+00  0.149712D+01  0.220934D+01  0.873246D+00 -0.644353D+00
      2  -0.272454D+01 -0.227142D+00  0.765230D+00  0.146303D+01  0.529147D+00
      3  -0.360002D+01  0.644431D+00 -0.118249D+01  0.690413D+01  0.316074D+00
               156           157           158           159           160 
      1  -0.221286D+01  0.183598D+01  0.158177D+01 -0.420635D+01 -0.203966D+00
      2   0.106720D+01  0.158453D+00  0.351827D+00  0.192417D+01 -0.145428D+01
      3  -0.898830D+00  0.607486D+01 -0.148081D+01 -0.601094D+00  0.938959D-01
               161           162           163           164           165 
      1   0.867021D+00  0.853160D+00  0.192061D+01  0.198744D+01 -0.181761D+00
      2   0.124142D+00 -0.579985D+00 -0.320441D+01 -0.329156D-01  0.334242D+01
      3   0.113635D+01  0.802312D-01 -0.441338D+01 -0.577807D+01 -0.218773D+01
               166           167           168           169           170 
      1   0.249755D+01  0.907907D+01 -0.728969D+00  0.670422D+00  0.202232D+01
      2  -0.160987D+01  0.383328D+01  0.470676D+01  0.254259D+01  0.193922D+01
      3  -0.239851D+01 -0.213653D+02 -0.759179D+01 -0.356992D+01 -0.310620D+01
               171           172           173           174           175 
      1  -0.684091D-01 -0.169376D+01  0.923842D+00 -0.465417D+00  0.156638D+01
      2   0.375199D+01  0.263299D+01  0.509851D+00  0.298369D+01  0.273085D+01
      3  -0.251281D+01  0.447740D+01 -0.325379D+01  0.109980D+01 -0.357326D+01
               176           177           178           179           180 
      1  -0.247288D+01  0.264793D+01 -0.168650D+01  0.577320D+01 -0.657959D+01
      2   0.308348D+01 -0.868109D+01  0.187776D+01 -0.329254D+01  0.235121D+02
      3   0.217332D+01 -0.541783D+01  0.210296D+01 -0.467223D+01  0.648999D+01
               181           182           183           184           185 
      1   0.319577D+00  0.117773D+01 -0.208827D-01  0.215482D+00  0.739757D-02
      2   0.871125D+01  0.267563D-02  0.115795D+02 -0.144139D+01  0.135489D+01
      3  -0.370268D+01 -0.881548D+01 -0.333555D+00 -0.444893D+01  0.868336D+00
               186           187           188           189           190 
      1  -0.810180D+00 -0.140481D+00  0.167653D+01  0.248968D+00  0.455044D+00
      2   0.382322D+01  0.544927D+01  0.360467D+01  0.816480D+01  0.186715D+01
      3  -0.211077D+01  0.162619D+01 -0.354945D+01 -0.320525D+01  0.535497D+01
               191           192           193           194           195 
      1   0.152760D-01  0.121644D+00 -0.181084D+00  0.308873D+01 -0.691346D+01
      2   0.160875D+00  0.121180D+01  0.268858D+00  0.779714D+01 -0.927696D+01
      3  -0.293255D+00 -0.631823D+00  0.159063D+01  0.110608D+02 -0.870535D+01
               196           197           198           199           200 
      1   0.178923D+00 -0.311988D+01  0.119239D+02 -0.281109D+01 -0.189006D+00
      2  -0.145189D+01 -0.117808D+02  0.203100D+02 -0.864937D+01 -0.198085D+01
      3  -0.142760D+01 -0.151722D+02  0.134154D+02  0.195308D+02  0.751368D+01
               201           202           203           204           205 
      1  -0.406189D+01 -0.349687D+00 -0.911272D+00 -0.236823D+01 -0.232593D+01
      2  -0.472206D+01 -0.757957D+00 -0.152896D+01 -0.221773D+01 -0.602243D+01
      3   0.589440D+01  0.705401D+01  0.442929D+01  0.233953D+01  0.621884D+01
               206           207           208           209           210 
      1  -0.412344D+00 -0.250877D+01 -0.563987D+01  0.184289D+01  0.535147D+01
      2  -0.395353D+01 -0.421674D+01 -0.100978D+02  0.523556D+01  0.968629D+01
      3   0.463909D+01  0.681574D+01  0.307220D+01 -0.977252D+01 -0.433493D+00
               211           212           213           214           215 
      1   0.294189D+01 -0.208614D+01 -0.418307D+01  0.470315D+01 -0.217497D+01
      2   0.358066D+01 -0.453566D+01 -0.584381D+01  0.731167D+01 -0.784532D+01
      3  -0.304006D+01  0.682899D+01  0.219314D+01 -0.153879D+00  0.672281D+01
               216           217           218           219           220 
      1  -0.456884D+01  0.424438D+00  0.266884D+01  0.133683D+01  0.102577D+01
      2  -0.867474D+01 -0.207840D+02  0.394552D+00 -0.124712D+02 -0.338913D+00
      3   0.452271D+01 -0.420300D+01  0.217797D+01 -0.187820D+01  0.313791D+01
               221           222           223           224           225 
      1  -0.181605D+00 -0.310281D+00  0.597737D+00  0.220435D+01  0.194187D+01
      2  -0.229091D+01 -0.302514D+01 -0.116366D+02 -0.547155D+00 -0.126544D+02
      3  -0.204147D+01  0.137131D+01 -0.242830D+01  0.143101D+01 -0.789400D+00
               226           227           228           229           230 
      1  -0.988826D+00 -0.208297D+01 -0.566393D+00 -0.211442D+01 -0.122544D+02
      2  -0.292321D+01  0.800787D+00  0.164570D+01  0.833761D+00 -0.299412D+01
      3  -0.489743D+01 -0.578695D+01 -0.186532D+00 -0.300088D+01 -0.350613D+02
               231           232           233           234           235 
      1  -0.351065D+01 -0.137689D+00  0.430211D-01 -0.997060D+00  0.465164D+01
      2   0.638794D+01 -0.809372D+00  0.213878D+01  0.639454D+00 -0.915274D+01
      3   0.315661D+01 -0.537178D+00 -0.230981D+01 -0.211069D+01  0.832404D+01
               236           237           238           239           240 
      1  -0.402835D+01 -0.300553D+01 -0.293455D+01  0.186109D+01  0.107761D+01
      2   0.571878D+00  0.115081D+02  0.300388D+01 -0.183406D+01 -0.758341D+01
      3  -0.903221D+01 -0.479306D+01 -0.683895D+01  0.332664D+01  0.402082D+01
               241           242           243           244           245 
      1  -0.413069D+01  0.342364D+01  0.351756D+01 -0.200573D+01  0.108705D+01
      2   0.627403D+01 -0.230390D+01 -0.134443D+02  0.145974D+01  0.222873D+00
      3  -0.545664D+01  0.439617D+01  0.557981D+01  0.544132D+01 -0.269487D+01
               246           247           248           249           250 
      1  -0.280988D+00  0.911982D+00 -0.515725D+01 -0.779836D+00 -0.750374D+00
      2   0.278619D+01  0.838507D+00  0.481580D+01 -0.517453D+01  0.149614D+01
      3   0.148088D+01  0.905294D+00  0.131035D+02 -0.547881D+01  0.914111D+00
               251           252           253           254           255 
      1   0.336894D+01 -0.364417D+00  0.394583D+01  0.376628D+01 -0.383060D+01
      2  -0.355632D+01  0.566212D+01 -0.512440D+01  0.106099D+01  0.181893D+02
      3  -0.650788D+01  0.375073D+01 -0.433925D+01 -0.703515D+01 -0.634740D+01
               256           257           258           259           260 
      1   0.452513D+01 -0.102031D+02  0.397487D+01 -0.125949D+01  0.909480D+01
      2   0.149805D+01  0.840180D+01  0.615918D+01  0.146389D+02  0.308583D+01
      3  -0.783837D+01  0.722682D+01 -0.124953D+02 -0.738553D+01 -0.115474D+02
               261           262           263           264           265 
      1   0.536453D+01 -0.236053D+01 -0.102168D+01  0.287866D+01  0.428997D+00
      2  -0.720402D+01 -0.867133D+01  0.381454D+01  0.109112D+02 -0.156684D+01
      3  -0.171811D+01  0.195117D+01 -0.484402D+01 -0.108724D+01 -0.879616D+00
               266           267           268           269           270 
      1  -0.100322D+01 -0.552846D+00  0.372839D+01  0.102056D+01 -0.474452D+01
      2  -0.145512D+01  0.164974D+01  0.128424D+02 -0.582131D+01 -0.209799D+02
      3   0.166067D+01  0.116142D+01 -0.142921D+01  0.664758D+01  0.263675D+01
               271           272           273           274           275 
      1   0.231113D+01 -0.178623D+01  0.143143D+01 -0.101974D+01  0.134966D+02
      2   0.267790D+00 -0.101869D+01 -0.111246D+01 -0.151641D+01 -0.104936D+01
      3  -0.354669D+01  0.270308D+01 -0.588320D+00  0.420369D+01 -0.175896D+02
               276           277           278           279           280 
      1  -0.619188D+01  0.146092D+01 -0.400065D+01  0.483162D+01 -0.135291D+01
      2   0.364720D+01 -0.171143D+01  0.846668D+00 -0.256247D+01 -0.520218D+01
      3   0.211290D+01 -0.294345D+01  0.654820D+01 -0.194904D+01  0.492591D+01
               281           282           283           284           285 
      1   0.351942D+01 -0.196076D+01  0.163638D+01  0.140788D+01 -0.641755D+00
      2   0.876729D+00  0.498740D+01 -0.180767D+00 -0.871533D+00 -0.453479D+00
      3  -0.602583D+01  0.664214D+00 -0.133983D+01 -0.165011D+01 -0.228472D+00
               286           287           288           289           290 
      1  -0.166568D+01  0.119925D+01 -0.208465D+01 -0.261933D+01 -0.328606D+01
      2  -0.187321D+00  0.527341D+00  0.485377D+01  0.124077D+02 -0.153412D+01
      3   0.229067D+01 -0.151811D+01  0.574227D+00 -0.362083D+01  0.188325D+01
               291           292           293           294           295 
      1   0.321005D+01 -0.189679D+01 -0.425525D+00  0.507537D-01  0.219187D+01
      2  -0.134008D+02  0.137344D+01  0.201894D+01 -0.201267D+01 -0.114781D+02
      3   0.419957D+01  0.213204D+01 -0.914638D+00 -0.552615D+00  0.331378D+01
               296           297 
      1   0.275533D+01 -0.587455D+01
      2   0.196866D+01  0.205040D+02
      3  -0.136189D+01 -0.476227D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.234435D+01  0.129014D+02 -0.441023D+01 -0.274912D+02  0.143972D+02
      2   0.579223D+01 -0.124033D+02  0.667052D+01  0.169748D+02 -0.387658D+01
      3  -0.344788D+01 -0.498060D+00 -0.226028D+01  0.105164D+02 -0.105206D+02
      4   0.971954D+01  0.445007D+01  0.571591D+01  0.147841D+02 -0.352837D+00
      5  -0.899757D+01  0.727166D+01 -0.556887D+01 -0.618172D+01 -0.334401D+01
      6   0.822942D+01  0.131608D+01  0.691090D+00 -0.538627D+01  0.872058D+01
                 6             7             8             9            10 
      1  -0.128233D+02  0.964437D+01  0.360053D+01 -0.988935D+01  0.594398D+02
      2   0.624554D+01 -0.758824D+01  0.195240D+01 -0.971686D+01 -0.314497D+02
      3   0.657781D+01 -0.205612D+01 -0.555293D+01  0.196062D+02 -0.279900D+02
      4  -0.318807D+01  0.979532D+01 -0.759877D+01  0.367490D+01 -0.225179D+01
      5  -0.120055D+01  0.397346D+01  0.345536D+01 -0.229483D+01  0.999225D+01
      6  -0.604700D+01  0.641310D+01 -0.144996D+01  0.405895D+01  0.126576D+01
                11            12            13            14            15 
      1  -0.242165D+01  0.736789D+01 -0.108214D+02 -0.154274D+02  0.582481D+01
      2   0.636255D+01 -0.629641D+01  0.394893D+01  0.122256D+02 -0.105268D+02
      3  -0.394091D+01 -0.107148D+01  0.687250D+01  0.320180D+01  0.470198D+01
      4   0.678342D+01 -0.480085D+01 -0.100119D+02  0.392505D+01  0.907590D+00
      5  -0.418316D+01  0.796621D+00  0.121562D+02  0.120373D+00  0.103654D+01
      6   0.178682D+01 -0.715067D+00 -0.453967D+00 -0.398526D+01  0.551517D+01
                16            17            18            19            20 
      1   0.358218D+01  0.708378D+01 -0.669203D+01  0.234289D+01 -0.137399D+02
      2  -0.549169D+01 -0.183845D+01 -0.192895D+01 -0.944963D+01  0.587107D+01
      3   0.190951D+01 -0.524533D+01  0.862098D+01  0.710675D+01  0.786885D+01
      4   0.141901D+02  0.295757D+01 -0.166181D+00 -0.130992D+02 -0.669914D+01
      5   0.992076D+01  0.780626D-01  0.555049D+01  0.245241D+01 -0.293552D+01
      6   0.951394D+01  0.113832D+02  0.492404D+01 -0.526894D+01 -0.497065D+01
                21            22            23            24            25 
      1   0.120034D+02  0.178814D+02  0.130751D+01 -0.283932D+01 -0.110575D+02
      2  -0.116416D+01 -0.121960D+02 -0.128257D+01  0.307253D+01  0.115626D+02
      3  -0.108393D+02 -0.568531D+01 -0.249379D-01 -0.233210D+00 -0.505101D+00
      4  -0.759460D+00  0.635468D+01 -0.518115D+01  0.580225D+01 -0.774268D+01
      5   0.706907D+01  0.328793D+01  0.716256D+01 -0.231778D+01  0.728001D+01
      6   0.116523D+01  0.125436D+02  0.806201D+01  0.464424D+01 -0.741576D+01
                26            27            28            29            30 
      1  -0.133680D+02 -0.110215D+01  0.112166D+02  0.413724D+01  0.291756D+01
      2   0.142077D+02 -0.459600D+01 -0.102474D+02 -0.474200D+01 -0.318344D+01
      3  -0.839710D+00  0.569814D+01 -0.969214D+00  0.604759D+00  0.265883D+00
      4  -0.501539D+00 -0.288635D+01 -0.110301D+01  0.520829D+01 -0.181922D+01
      5  -0.163079D+01 -0.499722D+01  0.565003D+01 -0.138421D+01  0.337101D+01
      6   0.258504D+00 -0.258154D+00  0.784394D+01  0.227067D+01 -0.199137D+01
                31            32            33            34            35 
      1  -0.693017D+01 -0.147999D+02  0.498512D+01 -0.559688D+01  0.785499D+01
      2  -0.227630D+01  0.860913D+01 -0.122974D+02  0.332837D+00 -0.627849D+01
      3   0.920648D+01  0.619072D+01  0.731231D+01  0.526405D+01 -0.157650D+01
      4  -0.949935D+01 -0.236754D+01  0.163848D+01  0.153157D+02  0.293933D+01
      5   0.127608D+02  0.183873D+01  0.561296D+01  0.147536D+02  0.167924D+01
      6  -0.551375D+01 -0.659724D+01  0.442005D+01  0.367849D+01  0.989886D+01
                36            37            38            39            40 
      1  -0.236466D+01  0.846007D+01  0.196279D+02 -0.155826D+01 -0.174297D+02
      2  -0.156268D+01  0.263994D+01 -0.197391D+02  0.467479D+01  0.149050D+02
      3   0.392734D+01 -0.111000D+02  0.111258D+00 -0.311653D+01  0.252474D+01
      4   0.911625D+00  0.711034D+01 -0.986498D+00  0.614247D+01  0.961007D+01
      5  -0.126859D+01 -0.724952D+01  0.840808D+01 -0.608960D+01  0.968240D+00
      6   0.269353D+01  0.534611D+01 -0.382783D+01 -0.336216D+00 -0.874196D+01
                41            42            43            44            45 
      1   0.587273D+01 -0.103060D+02  0.635906D+01 -0.286044D+01 -0.800862D+01
      2   0.351377D+01  0.974507D+01 -0.987637D+01  0.789773D+01 -0.610317D+01
      3  -0.938650D+01  0.560895D+00  0.351732D+01 -0.503729D+01  0.141118D+02
      4   0.232309D+01 -0.502471D+01  0.505233D+01 -0.111299D+02  0.490886D+01
      5  -0.427623D+01 -0.298864D+01  0.857328D+01  0.454134D+01 -0.116832D+01
      6   0.124703D+02 -0.695646D+01  0.576938D+01  0.122052D+01 -0.542441D+00
                46            47            48            49            50 
      1  -0.120559D+01 -0.147741D+02  0.732719D+01  0.252399D+02 -0.543381D+01
      2  -0.734430D+01  0.702374D+01 -0.339057D+01 -0.201451D+02  0.348069D+01
      3   0.854989D+01  0.775038D+01 -0.393662D+01 -0.509489D+01  0.195312D+01
      4  -0.106333D+02 -0.964699D+01 -0.777426D+00  0.574331D-01 -0.760974D+01
      5  -0.339144D+01 -0.295979D+01  0.837386D+01  0.827525D+01  0.554897D+01
      6  -0.324250D+01 -0.736216D+01  0.492535D+01  0.104747D+02  0.114175D+02
                51            52            53            54            55 
      1  -0.194637D+01 -0.272140D+02 -0.199851D+02 -0.132354D+00 -0.501455D+02
      2   0.375739D+01  0.167667D+02  0.218637D+02 -0.173778D+01  0.225300D+02
      3  -0.181102D+01  0.104473D+02 -0.187860D+01  0.187014D+01  0.276155D+02
      4   0.584764D+01 -0.765730D+01  0.200009D+01  0.733017D+00  0.100607D+02
      5   0.385227D+00  0.982848D+01 -0.109735D+01 -0.376886D+01  0.139021D+02
      6   0.607256D+01 -0.312285D+01  0.623805D+01  0.433635D+00 -0.143569D-01
                56            57            58            59            60 
      1   0.886569D+01  0.100786D+02  0.238766D+02 -0.242539D+01 -0.917196D+01
      2  -0.447925D+01 -0.464734D+01 -0.204161D+02 -0.487040D+01 -0.680401D+01
      3  -0.438644D+01 -0.543129D+01 -0.346054D+01  0.729579D+01  0.159760D+02
      4  -0.159147D+02 -0.604818D+01 -0.253631D+02 -0.401478D+02 -0.174511D+02
      5  -0.652551D+01 -0.104231D+02 -0.910056D+01 -0.165783D+02  0.184488D+02
      6  -0.323289D+01 -0.166771D+01 -0.115529D+02 -0.141098D+02 -0.670757D+01
                61            62            63            64            65 
      1   0.367309D+02 -0.102176D+02  0.566315D+01 -0.434565D+02 -0.226552D+02
      2  -0.969105D+01 -0.319046D+01  0.137532D+02  0.259623D+02  0.968269D+01
      3  -0.270398D+02  0.134080D+02 -0.194164D+02  0.174942D+02  0.129725D+02
      4  -0.928742D+01 -0.808629D+01  0.145985D+02 -0.239761D+02  0.117566D+02
      5  -0.192975D+02  0.145781D+02 -0.340251D+02 -0.577560D+02  0.460783D+01
      6  -0.126226D+01 -0.380813D+01  0.573569D+01  0.110811D+01  0.484968D+00
                66            67            68            69            70 
      1  -0.532690D+02 -0.423907D+02  0.846407D+01  0.447923D+01 -0.858186D+02
      2   0.258976D+02  0.260924D+02 -0.922870D+01 -0.451075D+01  0.421173D+02
      3   0.273715D+02  0.162984D+02  0.764632D+00  0.315164D-01  0.437013D+02
      4   0.556313D+01  0.828923D+01  0.369508D+02  0.489742D+01  0.132222D+02
      5  -0.530204D+01  0.832437D+01  0.365469D+01 -0.263314D+02 -0.897499D+01
      6   0.107657D+01  0.131981D+01 -0.277483D+00  0.483175D+00 -0.365626D+01
                71            72            73            74            75 
      1   0.865669D+01 -0.165810D+02  0.850040D+01  0.267691D+02  0.382893D+02
      2  -0.572232D+01  0.107926D+02 -0.120224D+02 -0.965654D+01 -0.170582D+02
      3  -0.293437D+01  0.578836D+01  0.352195D+01 -0.171126D+02 -0.212311D+02
      4   0.106763D+02 -0.285475D+02  0.252438D+02 -0.234347D+02 -0.224033D+02
      5  -0.290623D+02  0.101452D+02  0.383802D+02 -0.138640D+02 -0.458291D+01
      6   0.223288D+01  0.217334D+01 -0.187370D+02  0.439606D+01 -0.443215D+00
                76            77            78            79            80 
      1   0.290320D+02 -0.143333D+02 -0.120266D+02  0.484580D+02 -0.205138D+02
      2  -0.127881D+02  0.179811D+02  0.761596D+01 -0.207961D+02  0.115985D+02
      3  -0.162440D+02 -0.364776D+01  0.441062D+01 -0.276619D+02  0.891525D+01
      4  -0.177162D+02 -0.124129D+02 -0.409636D+01 -0.284515D+02 -0.611824D+01
      5  -0.101718D+02 -0.431481D+01  0.292094D+02 -0.103574D+02  0.374682D+02
      6   0.370838D+01  0.535778D+01 -0.149951D+02  0.535599D+01 -0.173877D+02
                81            82            83            84            85 
      1   0.577443D+01  0.481550D+01  0.172654D+02  0.500539D+02  0.261840D+02
      2  -0.108949D+02  0.132550D+02 -0.125007D+02 -0.252272D+02 -0.220366D+02
      3   0.512048D+01 -0.180705D+02 -0.476479D+01 -0.248267D+02 -0.414739D+01
      4   0.379359D+02  0.190807D+02 -0.101860D+02 -0.542620D+01 -0.153743D+02
      5  -0.222350D+02  0.453989D+02 -0.108313D+02 -0.210761D+02 -0.216401D+02
      6   0.119434D+02 -0.346326D+01  0.219133D+01  0.311044D+01  0.336389D+01
                86            87            88            89            90 
      1  -0.109536D+02 -0.126218D+02  0.574952D+02 -0.783692D+01 -0.790485D+01
      2  -0.921899D+01  0.129559D+02 -0.310565D+02  0.990968D+01  0.507006D+01
      3   0.201726D+02 -0.334133D+00 -0.264387D+02 -0.207276D+01  0.283479D+01
      4  -0.591597D+02 -0.144699D+01 -0.976434D+01 -0.107834D+02  0.234838D+02
      5   0.216864D+01  0.263549D+02 -0.191337D+02  0.245516D+02  0.978021D+00
      6   0.997852D+01  0.317863D+01  0.507237D+01  0.354785D+01 -0.883981D+01
                91            92            93            94            95 
      1  -0.441461D-01  0.900388D+01  0.160174D+02  0.654457D+01  0.471617D+01
      2  -0.849246D+00 -0.426363D+01 -0.448754D+01  0.307038D+00  0.249773D+01
      3   0.893392D+00 -0.474025D+01 -0.115299D+02 -0.685161D+01 -0.721390D+01
      4   0.830139D+01 -0.334451D+01 -0.348272D+00 -0.122589D+02  0.148769D+02
      5   0.130963D+02 -0.211236D+00 -0.562826D+01 -0.116912D+02 -0.247001D+02
      6   0.528445D+00 -0.549562D+01 -0.806037D+00 -0.132267D+02  0.543417D+01
                96            97            98            99           100 
      1   0.154376D+01  0.296341D+02 -0.311950D-01 -0.109634D+02 -0.615314D+01
      2   0.520702D+01 -0.124253D+02 -0.302954D+00  0.580565D+01 -0.301044D+00
      3  -0.675078D+01 -0.172088D+02  0.334149D+00  0.515773D+01  0.645419D+01
      4  -0.242110D+02 -0.994009D+01 -0.201377D+02  0.786307D+00 -0.125542D+02
      5  -0.664046D+01 -0.326171D+02  0.916444D+00 -0.181176D+01  0.406454D+01
      6  -0.160138D+02 -0.407074D+01 -0.116677D+02 -0.387796D+01  0.709910D+00
               101           102           103           104           105 
      1  -0.917637D+01 -0.528699D+01 -0.335775D+02 -0.159469D+02  0.169447D+02
      2   0.463415D+01  0.124092D+01  0.231482D+02  0.698163D+00 -0.162972D+02
      3   0.454222D+01  0.404607D+01  0.104292D+02  0.152487D+02 -0.647449D+00
      4  -0.187138D+02  0.275326D+01 -0.350686D+02 -0.172939D+02  0.191098D+02
      5   0.307571D+01  0.735681D+01  0.266811D+02  0.184017D+02 -0.235074D+02
      6   0.908697D+01 -0.493976D+00  0.100641D+02  0.283249D+01 -0.118545D+02
               106           107           108           109           110 
      1   0.915145D+01  0.568863D+01  0.153193D+02  0.471602D+02  0.254373D+02
      2   0.995882D+00 -0.306621D+01 -0.985782D+01 -0.216205D+02 -0.919224D+01
      3  -0.101473D+02 -0.262242D+01 -0.546147D+01 -0.255397D+02 -0.162450D+02
      4   0.580260D+01  0.342604D+02 -0.521146D+01  0.355709D+02  0.310954D+02
      5   0.159731D+02 -0.479495D+01 -0.355406D+01 -0.181195D+02 -0.610445D+01
      6  -0.237826D+00 -0.622744D+01  0.169785D+00 -0.679073D+01 -0.602855D+01
               111           112           113           114           115 
      1  -0.115184D+02  0.510713D+02  0.130136D+02 -0.966868D+01 -0.187631D+02
      2   0.665676D+01 -0.236110D+02  0.654712D+01  0.722936D+01  0.124623D+02
      3   0.486165D+01 -0.274603D+02 -0.195607D+02  0.243932D+01  0.630074D+01
      4  -0.395773D+01  0.432597D+02  0.684459D+02 -0.147453D+02 -0.105906D+02
      5   0.129218D+02 -0.238238D+02 -0.146188D+02  0.308456D+02  0.219154D+02
      6   0.377590D+01 -0.735300D+01 -0.168014D+02  0.152523D+02  0.361840D+01
               116           117           118           119           120 
      1  -0.800563D+00  0.255119D+01 -0.937718D-01 -0.129110D+02  0.140234D+02
      2   0.163264D+00 -0.783725D+01  0.937425D+01  0.201512D+01 -0.133484D+02
      3   0.637299D+00  0.528606D+01 -0.928048D+01  0.108959D+02 -0.674962D+00
      4  -0.245348D+02  0.190466D+02 -0.110739D+02  0.100535D+02 -0.797211D+01
      5   0.181788D+02 -0.227908D+02  0.220729D+02 -0.474886D+01 -0.227326D+02
      6   0.145478D+02 -0.983603D+01 -0.224535D+01 -0.138922D+00  0.320403D+01
               121           122           123           124           125 
      1  -0.238287D+02  0.393223D+01 -0.694970D+01  0.266937D+02 -0.123947D+02
      2   0.557579D+01  0.138759D+02  0.439416D+01 -0.215015D+02  0.637583D+01
      3   0.182529D+02 -0.178081D+02  0.255554D+01 -0.519213D+01  0.601883D+01
      4   0.339661D+02 -0.485522D+02 -0.135381D+02 -0.904302D+01 -0.141536D+01
      5   0.473842D+01 -0.107759D+02 -0.916019D+01 -0.285942D+02 -0.159051D+01
      6  -0.615573D+01  0.133831D+02  0.131764D+02  0.408056D+01  0.757921D+01
               126           127           128           129           130 
      1  -0.289226D+02  0.584674D+00  0.119431D+01 -0.316116D+01  0.280806D+01
      2   0.198623D+02 -0.122219D+01  0.176399D+00 -0.151972D+01 -0.221991D+01
      3   0.906028D+01  0.637518D+00 -0.137071D+01  0.468088D+01 -0.588149D+00
      4  -0.707635D+00 -0.685254D+01  0.682113D+01 -0.445723D+01  0.797121D+01
      5   0.304947D+02  0.443846D+01 -0.414956D+01  0.544531D+01 -0.435962D+01
      6   0.115756D+01 -0.456661D+01  0.486490D+01 -0.439097D+01  0.591966D+01
               131           132           133           134           135 
      1  -0.155980D+02  0.128008D+02 -0.486008D+00  0.913888D+01 -0.112976D+02
      2   0.115150D+02 -0.351538D+01 -0.105344D+01 -0.482212D+01  0.887008D+00
      3   0.408304D+01 -0.928539D+01  0.153945D+01 -0.431675D+01  0.104106D+02
      4  -0.111643D+02  0.641468D+01 -0.715782D+01  0.881373D+01 -0.686230D+01
      5   0.469602D+01 -0.469919D+01  0.550838D+01 -0.489729D+01  0.747999D+01
      6  -0.165034D+02  0.140371D+02 -0.555002D+01  0.123717D+02 -0.126045D+02
               136           137           138           139           140 
      1   0.433408D+01 -0.235223D+01  0.389085D+00 -0.291764D+01 -0.123863D+02
      2   0.787290D+00  0.536171D+01 -0.509813D+00  0.568883D+01  0.172637D+02
      3  -0.512137D+01 -0.300948D+01  0.120728D+00 -0.277120D+01 -0.487739D+01
      4   0.858252D+01  0.803649D+01 -0.182928D+01  0.101052D+02  0.129763D+02
      5  -0.558293D+01 -0.324761D+01  0.360927D+01 -0.588616D+01 -0.690122D+01
      6  -0.178922D+01 -0.220724D+01  0.250301D+01 -0.456206D+01 -0.869463D+01
               141           142           143           144           145 
      1   0.467903D+01  0.140658D+01  0.538849D+01 -0.334642D+01 -0.287034D+01
      2  -0.320000D+01 -0.192552D+01 -0.572460D+01  0.191637D+01  0.335551D+01
      3  -0.147903D+01  0.518939D+00  0.336110D+00  0.143005D+01 -0.485164D+00
      4  -0.345124D+01 -0.303964D+01 -0.303477D+01  0.258164D+01 -0.813356D+01
      5   0.561202D+01  0.325189D+01  0.306398D+01 -0.285126D+01  0.484720D+01
      6   0.664388D+01  0.268692D+01  0.519624D+01 -0.368088D+01 -0.632837D+01
               146           147           148           149           150 
      1   0.474406D+01 -0.431716D+01  0.620284D+01 -0.231414D+02  0.146075D+02
      2  -0.505673D+01  0.192788D+01 -0.701292D+01  0.260313D+02 -0.108223D+02
      3   0.312668D+00  0.238928D+01  0.810087D+00 -0.288989D+01 -0.378527D+01
      4   0.928809D+01 -0.596059D+01  0.895415D+01 -0.128291D+02  0.658686D+01
      5  -0.405586D+01  0.503016D+01 -0.403196D+01  0.335879D+01 -0.365234D+01
      6   0.661568D+01 -0.616577D+01  0.698249D+01 -0.197798D+02  0.156425D+02
               151           152           153           154           155 
      1  -0.452694D+01  0.146791D+02 -0.118820D+02  0.265743D+01 -0.407770D+01
      2   0.472310D+01 -0.142868D+02  0.682573D+01  0.658502D+01  0.130928D+02
      3  -0.196153D+00 -0.392299D+00  0.505630D+01 -0.924244D+01 -0.901508D+01
      4  -0.696342D+01  0.961084D+01 -0.672202D+01  0.152309D+02  0.158790D+02
      5   0.406888D+01 -0.370130D+01  0.473735D+01 -0.541134D+01 -0.368185D+01
      6  -0.578340D+01  0.140574D+02 -0.128648D+02 -0.144618D+01 -0.857997D+00
               156           157           158           159           160 
      1  -0.959453D+00 -0.143382D+01 -0.170964D+02  0.335429D+01  0.377565D+01
      2  -0.697908D+00  0.115415D+02  0.323418D+02 -0.507271D+01 -0.404759D+01
      3   0.165736D+01 -0.101077D+02 -0.152454D+02  0.171843D+01  0.271948D+00
      4  -0.283274D+01  0.175049D+02  0.244528D+02 -0.524783D+01 -0.307920D+01
      5   0.364174D+01 -0.662822D+01 -0.724261D+01  0.537849D+01  0.217402D+01
      6   0.286357D+01 -0.402862D+01 -0.748424D+01  0.667914D+01  0.271549D+01
               161           162           163           164           165 
      1   0.696488D+01 -0.305526D+01  0.136278D+02  0.737951D+01  0.367445D+00
      2  -0.100059D+02  0.324133D+01 -0.325262D+01 -0.213600D+01 -0.824773D+00
      3   0.304098D+01 -0.186071D+00 -0.103752D+02 -0.524351D+01  0.457328D+00
      4  -0.478253D+01  0.369481D+01  0.153490D+02  0.180369D+02  0.684632D+01
      5   0.383061D+01 -0.229555D+01  0.487584D+01  0.783992D+01  0.865952D+01
      6   0.511692D+01 -0.326367D+01  0.536321D+01  0.463762D+01  0.281816D+01
               166           167           168           169           170 
      1   0.143156D+02 -0.753350D+01 -0.301319D+01 -0.733936D+01 -0.125566D+01
      2  -0.235406D+01  0.178915D+02  0.283614D+01  0.251981D+01  0.553543D+00
      3  -0.119616D+02 -0.103580D+02  0.177058D+00  0.481956D+01  0.702112D+00
      4   0.261088D+02  0.503450D+02  0.185260D+02  0.495001D+01  0.690753D+01
      5   0.133801D+02  0.179864D+02  0.134906D+02  0.725658D+01  0.705245D+01
      6   0.999069D+01  0.225302D+02  0.136090D+02  0.309052D+01  0.869641D+01
               171           172           173           174           175 
      1  -0.240991D+01  0.570605D+01 -0.361878D+01  0.569176D+01 -0.133523D+02
      2  -0.845596D+00 -0.735841D+01  0.230762D+01 -0.497599D+01  0.107971D+02
      3   0.325550D+01  0.165236D+01  0.131116D+01 -0.715769D+00  0.255516D+01
      4   0.756730D+01 -0.479472D+01  0.488940D+01 -0.595268D+00  0.669959D+01
      5   0.983127D+01  0.922348D+01 -0.156138D+01  0.142083D+02 -0.813927D+01
      6   0.541764D+01 -0.205742D+01  0.106643D+01 -0.354071D-01  0.275833D+01
               176           177           178           179           180 
      1  -0.141135D+01  0.586740D+01  0.570740D+01  0.242996D+01 -0.174100D+02
      2  -0.140037D+01  0.685379D+01 -0.117274D+02  0.331314D+01 -0.234024D+02
      3   0.281173D+01 -0.127212D+02  0.601998D+01 -0.574310D+01  0.408124D+02
      4  -0.341290D+01  0.908072D+01 -0.142668D+01  0.802333D+01 -0.751440D+01
      5   0.945169D+01 -0.198738D+02  0.228138D+02 -0.751696D+01  0.532043D+02
      6  -0.326063D+01  0.684570D+01 -0.981637D+00  0.648972D+01 -0.226539D+01
               181           182           183           184           185 
      1   0.117469D+03  0.115926D+02  0.366547D+02  0.166933D+02  0.128153D+02
      2  -0.627835D+02 -0.726175D+01 -0.205393D+02 -0.851261D+01 -0.491654D+01
      3  -0.546854D+02 -0.433087D+01 -0.161154D+02 -0.818069D+01 -0.789875D+01
      4   0.102282D+02  0.149420D+02  0.162040D+01  0.190857D+02  0.950487D+00
      5   0.424809D+02  0.236093D+01  0.278698D+02  0.253993D+01  0.636924D+01
      6   0.125994D+01  0.123151D+01  0.958599D+00  0.312846D+01  0.122640D+01
               186           187           188           189           190 
      1   0.246000D+01  0.459476D+02  0.163297D+01  0.246093D+02  0.478270D+00
      2  -0.109110D+01 -0.272616D+02 -0.149849D+01 -0.178855D+02  0.844177D+00
      3  -0.136890D+01 -0.186860D+02 -0.134484D+00 -0.672377D+01 -0.132245D+01
      4   0.636292D+01  0.500255D+00  0.603354D+01  0.575292D+01 -0.819587D+01
      5   0.670535D+01  0.328554D+02  0.645339D+01  0.237596D+02  0.361442D+01
      6   0.320880D+01  0.827823D+00  0.237912D+01  0.856277D+00 -0.172023D+01
               191           192           193           194           195 
      1  -0.887370D+01  0.375390D+01 -0.697763D+01 -0.807895D+01  0.736379D+01
      2   0.442326D+01 -0.250284D+01  0.165171D+01  0.147187D+02 -0.981210D+01
      3   0.445043D+01 -0.125107D+01  0.532592D+01 -0.663975D+01  0.244831D+01
      4   0.644389D+01 -0.184073D+01  0.102481D+02 -0.232436D+02  0.160579D+02
      5  -0.123919D+01  0.521666D+01 -0.279173D+01  0.163467D+02 -0.186839D+02
      6  -0.344535D+00 -0.264089D+00  0.129710D+01 -0.128877D+02  0.154647D+02
               196           197           198           199           200 
      1   0.839081D+01  0.936523D+01 -0.110841D+02 -0.389472D+02 -0.119343D+02
      2  -0.292638D+01 -0.137410D+02  0.544246D+01  0.208489D+02  0.122476D+02
      3  -0.546443D+01  0.437576D+01  0.564164D+01  0.180983D+02 -0.313270D+00
      4  -0.965617D+01  0.299543D+02 -0.259621D+02  0.112105D+02 -0.898517D+01
      5   0.871037D+01 -0.259796D+02  0.414351D+02 -0.733036D+01 -0.144686D+01
      6  -0.353927D+01  0.182604D+02 -0.248545D+02  0.740405D+01  0.366602D+01
               201           202           203           204           205 
      1  -0.153804D+02 -0.815254D+01 -0.831193D+01 -0.251308D+01 -0.185052D+02
      2   0.751673D+01  0.657865D+01  0.794261D+01  0.294141D+01  0.882153D+01
      3   0.786363D+01  0.157389D+01  0.369328D+00 -0.428331D+00  0.968369D+01
      4   0.302147D+01  0.206064D+01 -0.300912D+01 -0.432381D-01  0.578515D+01
      5  -0.760177D+01 -0.262715D+00 -0.127585D+01 -0.435638D+01 -0.212831D+01
      6   0.725310D+01  0.233459D+01  0.197198D+01  0.508868D+01  0.376718D+01
               206           207           208           209           210 
      1  -0.527910D+01 -0.126833D+02  0.536078D+02 -0.238805D+02 -0.195183D+02
      2   0.537202D+01  0.625848D+01 -0.191134D+02  0.200806D+01  0.862690D+01
      3  -0.929203D-01  0.642485D+01 -0.344943D+02  0.218725D+02  0.108914D+02
      4  -0.560908D+01 -0.442335D+01 -0.472893D+02  0.389344D+02  0.172969D+02
      5  -0.728111D+01 -0.550777D+01 -0.263960D+02  0.131700D+02  0.203913D+02
      6   0.680902D+01  0.483639D+01  0.112084D+02 -0.710911D+01 -0.887398D+01
               211           212           213           214           215 
      1  -0.178903D+02  0.133848D+02  0.525288D+01 -0.270220D+02  0.107237D+02
      2   0.589356D+00  0.342428D+01  0.701155D+00  0.106769D+02  0.566434D+00
      3   0.173009D+02 -0.168090D+02 -0.595403D+01  0.163451D+02 -0.112901D+02
      4   0.318829D+02 -0.297667D+02 -0.123341D+02  0.272805D+02 -0.243683D+02
      5   0.108357D+02 -0.109030D+02 -0.112792D+02  0.237021D+02 -0.179272D+02
      6  -0.658996D+01  0.719600D+01  0.824645D+01 -0.101871D+02  0.107337D+02
               216           217           218           219           220 
      1   0.117941D+02 -0.418193D+02 -0.298338D+01 -0.206204D+02 -0.496276D+01
      2  -0.508317D+01  0.150670D+02  0.125938D+01  0.147281D+01  0.304259D+01
      3  -0.671096D+01  0.267523D+02  0.172400D+01  0.191476D+02  0.192018D+01
      4  -0.204419D+02 -0.724266D+01 -0.589454D+01  0.671259D+00  0.697640D+00
      5  -0.193490D+02  0.245364D+01  0.274279D+01 -0.112966D+02  0.128753D+01
      6   0.902563D+01  0.879438D+00  0.367527D+01 -0.154518D+01  0.138039D+01
               221           222           223           224           225 
      1  -0.426120D+01 -0.178649D+01 -0.216310D+02  0.197686D+00 -0.167223D+02
      2   0.368063D+01 -0.126161D+01  0.615171D+01 -0.126927D+01 -0.201270D+01
      3   0.580577D+00  0.304810D+01  0.154793D+02  0.107159D+01  0.187350D+02
      4   0.492440D+01 -0.239103D+01 -0.182362D+01 -0.340306D+01 -0.209462D+01
      5  -0.194885D+01 -0.536854D+01  0.185643D+01 -0.653500D+00 -0.129734D+02
      6  -0.723037D+00  0.303115D+01 -0.107010D+01  0.288549D+01 -0.120769D+01
               226           227           228           229           230 
      1   0.934085D+01  0.993166D+01 -0.581661D+01  0.164872D+02  0.251788D+01
      2  -0.340335D+01 -0.185024D+01  0.352362D+01 -0.343728D+01  0.210247D+02
      3  -0.593750D+01 -0.808142D+01  0.229300D+01 -0.130499D+02 -0.235426D+02
      4   0.128923D+02  0.170884D+02 -0.870876D+00  0.261315D+02  0.750785D+02
      5  -0.707678D+01 -0.182357D+01  0.588683D+01 -0.768069D+01 -0.102918D+02
      6  -0.161727D+01 -0.262083D+01  0.895473D+00 -0.548359D+01 -0.184132D+02
               231           232           233           234           235 
      1   0.536077D+00 -0.762217D+00  0.283833D+01 -0.518057D+00  0.653560D+02
      2   0.153686D+01  0.150770D+01  0.574636D+00  0.721237D+00 -0.440541D+02
      3  -0.207294D+01 -0.745486D+00 -0.341297D+01 -0.203180D+00 -0.213019D+02
      4  -0.852851D+01  0.199344D+01  0.500843D+01  0.502231D+01 -0.636868D+01
      5   0.124312D+02  0.444531D+01  0.490176D+01  0.352796D-01 -0.539994D+02
      6   0.776596D+01  0.848896D+00  0.558537D+01 -0.491842D+00  0.216604D+01
               236           237           238           239           240 
      1  -0.867451D+01 -0.340744D+02 -0.226304D+02  0.978187D+01  0.106101D+02
      2   0.643130D+01  0.275919D+02  0.155645D+02 -0.465779D+01 -0.104409D+02
      3   0.224321D+01  0.648248D+01  0.706586D+01 -0.512408D+01 -0.169182D+00
      4   0.145367D+02  0.292623D+01  0.139196D+02 -0.509001D+01 -0.753138D+01
      5   0.639192D+01  0.417166D+02  0.200293D+02 -0.942204D+01 -0.205828D+02
      6  -0.521055D+01 -0.898821D+00 -0.530860D+01  0.304130D+01  0.427352D+01
               241           242           243           244           245 
      1  -0.340367D+02  0.334534D+01  0.216184D+02  0.226217D+01 -0.684031D+01
      2   0.280270D+02 -0.421854D+01 -0.253499D+02 -0.609310D+00  0.329376D+01
      3   0.600975D+01  0.873205D+00  0.373145D+01 -0.165286D+01  0.354654D+01
      4   0.307196D+01 -0.659175D+01 -0.539786D+01 -0.108130D+02  0.883623D+01
      5   0.432274D+02 -0.763773D+01 -0.425838D+02  0.548682D+01 -0.452615D+01
      6  -0.148101D+01  0.413257D+01  0.152871D+01 -0.605546D+01  0.292960D+01
               246           247           248           249           250 
      1   0.729556D+00 -0.102001D+02 -0.526516D+01  0.490095D+01 -0.171693D+00
      2  -0.106483D+01  0.418038D+01  0.762805D+01 -0.105210D+01 -0.172564D+01
      3   0.335271D+00  0.601969D+01 -0.236289D+01 -0.384885D+01  0.189734D+01
      4  -0.409807D+01  0.128112D+02 -0.282113D+02  0.130562D+02 -0.519861D+01
      5   0.786605D+01 -0.664238D+01  0.132879D+02 -0.138245D+02  0.116079D+02
      6  -0.181970D+01  0.491853D+01 -0.159109D+02  0.102770D+02 -0.333196D+01
               251           252           253           254           255 
      1   0.220276D+01 -0.317633D+01 -0.285298D+02 -0.113123D+02 -0.441695D+02
      2   0.942149D+00 -0.361286D+01  0.337935D+02  0.106481D+02  0.135742D+02
      3  -0.314491D+01  0.678918D+01 -0.526371D+01  0.664235D+00  0.305952D+02
      4   0.132675D+02 -0.968500D+01 -0.176779D+02  0.283731D+01 -0.127635D+02
      5  -0.930896D+01  0.151869D+02 -0.549221D+02 -0.855668D+01 -0.144232D+02
      6   0.106090D+02 -0.799218D+01 -0.113121D+02  0.137209D+01  0.983282D-01
               256           257           258           259           260 
      1  -0.152979D+01  0.338942D+01 -0.138272D+02 -0.372172D+02 -0.123852D+02
      2   0.350136D+01 -0.196176D+02  0.965448D+01  0.101816D+02  0.145992D+02
      3  -0.197157D+01  0.162282D+02  0.417268D+01  0.270357D+02 -0.221397D+01
      4   0.113484D+02 -0.813713D+01  0.171169D+02 -0.612811D+01  0.165992D+02
      5   0.135060D+01  0.210481D+02  0.849638D+01 -0.294753D+01  0.283992D+01
      6   0.947840D+01  0.321848D+01  0.164689D+02  0.555769D+01  0.124760D+02
               261           262           263           264           265 
      1   0.109243D+02  0.390550D+02 -0.999348D+01 -0.241763D+02  0.463776D+01
      2   0.472330D+01 -0.253204D+02  0.563096D+01  0.176552D+02 -0.562673D+01
      3  -0.156476D+02 -0.137345D+02  0.436252D+01  0.652114D+01  0.988971D+00
      4   0.812415D+01 -0.183212D+02  0.125988D+02  0.115620D+02  0.546700D+01
      5   0.216057D+01 -0.352181D+02  0.101560D+02  0.308435D+02 -0.523071D+01
      6   0.307929D+01  0.634032D+01 -0.327160D+01 -0.562322D+01 -0.198133D+01
               266           267           268           269           270 
      1   0.156617D+01 -0.443676D+01 -0.310816D+02  0.757600D+01  0.221965D+02
      2  -0.136958D+00  0.530934D+01  0.247385D+02 -0.527422D+01 -0.246221D+02
      3  -0.142921D+01 -0.872581D+00  0.634307D+01 -0.230178D+01  0.242559D+01
      4  -0.631038D+01 -0.410964D+01  0.173668D+02 -0.153630D+02 -0.173493D+02
      5  -0.415313D+01  0.466822D+01  0.440233D+02 -0.151953D+02 -0.507589D+02
      6   0.219816D+01  0.292232D+01 -0.772869D+01  0.633614D+01  0.103708D+02
               271           272           273           274           275 
      1   0.799842D+00  0.716431D+01  0.385100D+01  0.820732D+01 -0.170741D+02
      2   0.105528D+01 -0.663246D+01 -0.574349D-01 -0.488458D+01  0.346174D+02
      3  -0.185512D+01 -0.531849D+00 -0.379356D+01 -0.332274D+01 -0.175432D+02
      4   0.361951D+01  0.199370D+00  0.779122D+00  0.653038D+01  0.289058D+02
      5   0.249939D+01  0.251337D+01  0.991737D+00  0.565374D+01 -0.485492D+01
      6   0.145889D+01 -0.211796D+01 -0.140878D+01  0.796540D+00  0.143731D+02
               276           277           278           279           280 
      1  -0.618564D+00 -0.188194D+01  0.514083D+01 -0.216060D+01  0.649934D+02
      2  -0.656683D+01  0.230947D+01 -0.107345D+02  0.414998D+01 -0.462665D+02
      3   0.718539D+01 -0.427536D+00  0.559368D+01 -0.198938D+01 -0.187269D+02
      4  -0.176062D+01 -0.199990D+01 -0.106239D+02  0.717783D+00  0.271169D+02
      5   0.876737D+01 -0.155453D+01  0.207377D+01 -0.740661D+01  0.632618D+02
      6   0.417996D+01 -0.144879D+01 -0.222529D+01 -0.284026D+01  0.122784D+02
               281           282           283           284           285 
      1   0.674925D+01  0.218021D+02  0.102079D+01  0.464511D+01  0.143623D+01
      2  -0.354331D+01 -0.230461D+02  0.106509D+01 -0.456337D+00 -0.196386D+00
      3  -0.320594D+01  0.124400D+01 -0.208588D+01 -0.418878D+01 -0.123984D+01
      4   0.157921D+02  0.137013D+02  0.116470D+02  0.621443D+01  0.459413D+01
      5   0.123509D+02  0.402123D+02  0.286001D+01  0.573960D+01  0.977241D+00
      6   0.923341D+01  0.970081D+01  0.615339D+01  0.302635D+01  0.375368D+01
               286           287           288           289           290 
      1   0.170942D+02  0.193643D+01  0.724059D+01 -0.138800D+02  0.529511D+01
      2  -0.179487D+02 -0.263096D+01 -0.155134D+02 -0.158138D+01 -0.293258D+01
      3   0.854445D+00  0.694534D+00  0.827276D+01  0.154614D+02 -0.236253D+01
      4   0.982243D+01  0.487278D+01  0.639211D+01 -0.305670D+01 -0.291902D+01
      5   0.320936D+02  0.616746D+01  0.268483D+02  0.546339D+00 -0.126209D+01
      6   0.649324D+01  0.439838D+01  0.693242D+01  0.326463D+01 -0.602897D+01
               291           292           293           294           295 
      1   0.266345D+02 -0.160579D+01 -0.551377D+01  0.250884D+01  0.181827D+02
      2   0.265410D+01  0.203231D+00  0.253095D+01  0.219848D+01 -0.171016D+01
      3  -0.292886D+02  0.140256D+01  0.298281D+01 -0.470731D+01 -0.164725D+02
      4   0.255158D+01 -0.664444D+00 -0.237988D+00  0.387016D+00  0.480130D+01
      5  -0.389668D+01 -0.866393D+00 -0.157841D+01 -0.395323D+01  0.533044D+01
      6  -0.756015D+01 -0.298747D+01  0.580558D+00  0.455005D+01 -0.274288D+01
               296           297 
      1  -0.391057D+01 -0.346219D+02
      2   0.321848D+00 -0.121245D+02
      3   0.358872D+01  0.467463D+02
      4   0.215757D+01 -0.196055D+01
      5   0.232377D+01  0.170810D+02
      6   0.710850D+01  0.116733D+02
 Leave Link  716 at Mon Sep 13 17:22:41 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.219538D+03  0.587940D+01  0.728716D+01
      2   0.587940D+01  0.157783D+03 -0.840975D+01
      3   0.728716D+01 -0.840975D+01  0.142856D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.764495D+01  0.439741D+01 -0.117694D+01
      2  -0.119438D+02  0.108831D+02 -0.504712D+02
      3  -0.351342D+02  0.508391D+02 -0.196804D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.196002D+03  0.193142D+02 -0.475481D+02
      2   0.846317D+02 -0.209831D+02 -0.140063D+01
      3   0.111370D+03  0.166892D+01  0.489487D+02
      4   0.290344D+02 -0.110402D+03  0.306229D+02
      5   0.134228D+02  0.334434D+02 -0.959561D+02
      6   0.741727D+01  0.243263D+02  0.276424D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.893850D+01  0.142395D+01  0.240428D+01  0.120318D+02 -0.313869D+00
      2   0.142395D+01 -0.193749D+01 -0.116416D+00 -0.313869D+00  0.217918D+01
      3   0.240428D+01 -0.116416D+00  0.512045D+00  0.125005D+01  0.965730D+00
                 6             7             8             9            10 
      1   0.125005D+01 -0.630860D+00 -0.192523D+01  0.969671D-01 -0.305489D+02
      2   0.965730D+00 -0.192523D+01  0.100011D+01  0.625769D+00 -0.854168D-02
      3  -0.708331D+00  0.969671D-01  0.625769D+00 -0.394429D+01 -0.378210D+01
                11            12            13            14            15 
      1  -0.854168D-02 -0.378210D+01  0.228073D+00 -0.152898D+01 -0.172447D+01
      2  -0.261150D+01  0.864282D+00 -0.152898D+01 -0.162722D+01 -0.391087D+00
      3   0.864282D+00 -0.187071D+01 -0.172447D+01 -0.391087D+00 -0.111871D+01
                16            17            18            19            20 
      1  -0.784136D+01 -0.167162D+01 -0.437427D+01 -0.660936D+01 -0.548319D+00
      2  -0.167162D+01 -0.977797D+00 -0.528754D+00 -0.548319D+00  0.846672D+00
      3  -0.437427D+01 -0.528754D+00 -0.313739D+01 -0.266943D+01 -0.131618D+01
                21            22            23            24            25 
      1  -0.266943D+01  0.966045D+01  0.458398D+00  0.283118D+01 -0.960831D+01
      2  -0.131618D+01  0.458398D+00  0.277565D+01  0.112825D+01 -0.843143D+00
      3   0.223713D+01  0.283118D+01  0.112825D+01  0.747334D+00 -0.639179D+00
                26            27            28            29            30 
      1  -0.843143D+00 -0.639179D+00  0.268699D+02  0.172469D+01  0.503479D+01
      2   0.192869D+01  0.911097D+00  0.172469D+01  0.230488D+01 -0.171434D+00
      3   0.911097D+00 -0.190157D+01  0.503479D+01 -0.171434D+00  0.266135D+01
                31            32            33            34            35 
      1   0.122750D+01  0.123795D+01  0.182929D+01  0.488136D+01  0.217597D+01
      2   0.123795D+01 -0.497046D+00  0.797317D+00  0.217597D+01  0.199829D+01
      3   0.182929D+01  0.797317D+00  0.200190D+01  0.548267D+01  0.672723D+00
                36            37            38            39            40 
      1   0.548267D+01 -0.105197D+02 -0.133649D+01 -0.308239D+01 -0.132410D+02
      2   0.672723D+00 -0.133649D+01  0.349121D+01  0.893634D-01 -0.991894D+00
      3   0.236341D+01 -0.308239D+01  0.893634D-01 -0.659176D+00 -0.116293D+01
                41            42            43            44            45 
      1  -0.991894D+00 -0.116293D+01  0.372716D+00  0.194572D+01  0.354382D+00
      2  -0.166428D+01 -0.148263D+01  0.194572D+01 -0.985070D+00 -0.928342D+00
      3  -0.148263D+01  0.101350D+00  0.354382D+00 -0.928342D+00  0.412832D+01
                46            47            48            49            50 
      1   0.802001D+01  0.521878D+00  0.277865D+01 -0.841143D+01  0.973270D+00
      2   0.521878D+00 -0.167147D+01  0.148640D+01  0.973270D+00 -0.209558D+01
      3   0.277865D+01  0.148640D+01 -0.188075D+01 -0.266256D+01 -0.116828D+01
                51            52            53            54            55 
      1  -0.266256D+01  0.113872D+02  0.360800D+00 -0.142033D+00  0.180569D+02
      2  -0.116828D+01  0.360800D+00 -0.336557D+01 -0.130606D+01 -0.150434D+01
      3  -0.100779D+01 -0.142033D+00 -0.130606D+01  0.149056D+01 -0.679752D+00
                56            57            58            59            60 
      1  -0.150434D+01 -0.679752D+00 -0.409351D+01  0.352255D+01  0.123143D+01
      2   0.202914D+01  0.857768D+00  0.352255D+01  0.503645D+01  0.228065D+01
      3   0.857768D+00  0.149651D+01  0.123143D+01  0.228065D+01 -0.273410D+01
                61            62            63            64            65 
      1  -0.437517D+01  0.144738D+01  0.338823D+01 -0.151584D+01  0.296683D+01
      2   0.144738D+01  0.978435D+00 -0.213075D+01  0.296683D+01 -0.116162D+01
      3   0.338823D+01 -0.213075D+01  0.493454D+01  0.545487D+01 -0.716152D+00
                66            67            68            69            70 
      1   0.545487D+01  0.779269D+01 -0.123509D+01 -0.904954D+00  0.138898D+02
      2  -0.716152D+00 -0.123509D+01 -0.461207D+01 -0.698632D+00 -0.169940D+01
      3   0.439674D+00 -0.904954D+00 -0.698632D+00  0.333118D+01  0.643999D+00
                71            72            73            74            75 
      1  -0.169940D+01  0.643999D+00  0.263440D+00 -0.317079D+01 -0.469114D+01
      2  -0.102893D+01  0.348790D+01 -0.317079D+01  0.173147D+01  0.126134D+01
      3   0.348790D+01 -0.138646D+01 -0.469114D+01  0.126134D+01  0.204563D+00
                76            77            78            79            80 
      1  -0.396394D+01  0.100125D+01  0.875665D+00 -0.650938D+01  0.168133D+01
      2   0.100125D+01  0.244437D+01  0.869138D+00  0.168133D+01  0.129363D+01
      3   0.875665D+00  0.869138D+00 -0.361843D+01  0.796764D+00 -0.456365D+01
                81            82            83            84            85 
      1   0.796764D+00  0.587465D+00 -0.210604D+01 -0.519286D+01 -0.331931D+01
      2  -0.456365D+01 -0.210604D+01  0.135941D+01  0.837312D+00  0.185899D+01
      3   0.274852D+01 -0.519286D+01  0.837312D+00  0.874957D+00  0.181726D+01
                86            87            88            89            90 
      1   0.185899D+01  0.181726D+01 -0.678465D+01  0.149211D+01  0.412393D+00
      2   0.655667D+01  0.137580D+00  0.149211D+01  0.119059D+01 -0.280257D+01
      3   0.137580D+00 -0.292092D+01  0.412393D+00 -0.280257D+01  0.267479D+00
                91            92            93            94            95 
      1  -0.570254D+01  0.715940D+00  0.172266D+00 -0.150894D+01 -0.228468D+01
      2   0.715940D+00 -0.119744D+01 -0.510255D+00 -0.228468D+01  0.197920D+01
      3   0.172266D+00 -0.510255D+00 -0.208986D+01 -0.214581D+01 -0.388399D+01
                96            97            98            99           100 
      1  -0.214581D+01  0.431350D+01 -0.140259D+01 -0.508563D+01 -0.212110D+01
      2  -0.388399D+01 -0.140259D+01 -0.309592D+01 -0.318451D+00 -0.178969D+01
      3  -0.195814D+01 -0.508563D+01 -0.318451D+00 -0.542851D+00 -0.146456D+00
               101           102           103           104           105 
      1  -0.178969D+01 -0.146456D+00 -0.495960D+01 -0.224997D+01  0.298001D+01
      2  -0.132587D+01  0.219250D+00 -0.224997D+01 -0.216976D+01  0.242243D+01
      3   0.219250D+00  0.152414D+01  0.298001D+01  0.242243D+01 -0.219590D+01
               106           107           108           109           110 
      1  -0.746362D+00  0.749045D+00  0.183447D+01  0.516655D+01  0.365805D+01
      2   0.749045D+00  0.246811D+01 -0.410021D+00  0.365805D+01  0.240933D+01
      3   0.183447D+01 -0.410021D+00 -0.189516D+01 -0.153556D+01 -0.347267D+00
               111           112           113           114           115 
      1  -0.153556D+01  0.932897D+01  0.389011D+01 -0.221500D+01 -0.373333D+01
      2  -0.347267D+00  0.389011D+01  0.792037D+01 -0.164102D+01 -0.990179D+00
      3   0.570419D+00 -0.221500D+01 -0.164102D+01  0.355201D+01  0.177556D+01
               116           117           118           119           120 
      1  -0.990179D+00  0.177556D+01 -0.111306D+01 -0.113197D+01  0.231016D+01
      2  -0.237191D+01  0.217210D+01 -0.113197D+01  0.294645D-01 -0.739172D+00
      3   0.217210D+01 -0.224442D+01  0.231016D+01 -0.739172D+00 -0.316530D+01
               121           122           123           124           125 
      1  -0.459204D+01  0.230659D+01  0.137680D+00  0.344752D+01 -0.104449D+01
      2   0.230659D+01 -0.523351D+01 -0.169353D+01 -0.104449D+01  0.205744D+00
      3   0.137680D+00 -0.169353D+01 -0.962163D+00 -0.334268D+01 -0.440956D+00
               126           127           128           129           130 
      1  -0.334268D+01 -0.180096D+01  0.132960D+01 -0.117554D+01  0.156748D+01
      2  -0.440956D+00  0.132960D+01 -0.982610D+00  0.936304D+00 -0.152424D+01
      3   0.349589D+01 -0.117554D+01  0.936304D+00 -0.124597D+01  0.112375D+01
               131           132           133           134           135 
      1  -0.152424D+01  0.112375D+01 -0.196201D+01  0.162821D+01 -0.126896D+01
      2   0.409052D+01 -0.275577D+01  0.162821D+01 -0.284247D+01  0.221250D+01
      3  -0.275577D+01  0.288826D+01 -0.126896D+01  0.221250D+01 -0.257789D+01
               136           137           138           139           140 
      1   0.369853D+01  0.199844D+01 -0.402911D+00  0.279043D+01  0.256696D+01
      2   0.199844D+01  0.205222D+01 -0.379525D+00  0.256696D+01  0.447061D+01
      3  -0.402911D+00 -0.379525D+00  0.592073D+00 -0.960284D+00 -0.141490D+01
               141           142           143           144           145 
      1  -0.960284D+00 -0.726484D+00 -0.808274D+00  0.428028D+00  0.191840D+01
      2  -0.141490D+01 -0.808274D+00 -0.185962D+01  0.766325D+00 -0.146070D+01
      3   0.130931D+01  0.428028D+00  0.766325D+00 -0.744793D+00  0.146520D+01
               146           147           148           149           150 
      1  -0.146070D+01  0.146520D+01 -0.157490D+01  0.176036D+01 -0.124872D+01
      2   0.145715D+01 -0.115120D+01  0.176036D+01 -0.527807D+01  0.295765D+01
      3  -0.115120D+01  0.134004D+01 -0.124872D+01  0.295765D+01 -0.277804D+01
               151           152           153           154           155 
      1   0.155460D+01 -0.159405D+01  0.115365D+01 -0.328539D+01 -0.238404D+01
      2  -0.159405D+01  0.330339D+01 -0.220134D+01 -0.238404D+01 -0.289290D+01
      3   0.115365D+01 -0.220134D+01  0.205302D+01  0.529075D+00  0.373048D+00
               156           157           158           159           160 
      1   0.529075D+00 -0.316426D+01 -0.320002D+01  0.984375D+00  0.553447D+00
      2   0.373048D+00 -0.320002D+01 -0.603713D+01  0.139693D+01  0.644979D+00
      3  -0.369825D+00  0.984375D+00  0.139693D+01 -0.111699D+01 -0.354798D+00
               161           162           163           164           165 
      1   0.644979D+00 -0.354798D+00 -0.273378D+01 -0.161213D+01 -0.344116D+00
      2   0.193451D+01 -0.726607D+00 -0.161213D+01 -0.163141D+01 -0.720574D+00
      3  -0.726607D+00  0.504312D+00 -0.344116D+00 -0.720574D+00 -0.791533D+00
               166           167           168           169           170 
      1  -0.448174D+01 -0.269266D+01 -0.138814D+01  0.176585D+01 -0.580518D+00
      2  -0.269266D+01 -0.696478D+01 -0.256403D+01 -0.580518D+00 -0.101617D+01
      3  -0.138814D+01 -0.256403D+01 -0.186830D+01 -0.763422D+00 -0.105416D+01
               171           172           173           174           175 
      1  -0.763422D+00 -0.124942D+01  0.664175D+00 -0.110068D+01  0.388885D+01
      2  -0.105416D+01  0.664175D+00 -0.411031D+00  0.327100D-01 -0.937693D+00
      3  -0.143468D+01 -0.110068D+01  0.327100D-01 -0.980286D+00  0.942682D+00
               176           177           178           179           180 
      1  -0.937693D+00  0.942682D+00 -0.237452D+01  0.261122D+00 -0.241882D+01
      2   0.566233D+00 -0.141904D+01  0.261122D+00 -0.116866D+01  0.116370D+01
      3  -0.141904D+01  0.291500D+01 -0.241882D+01  0.116370D+01 -0.823738D+01
               181           182           183           184           185 
      1  -0.109538D+02 -0.108771D+01 -0.362023D+01 -0.211333D+01 -0.154498D+01
      2  -0.108771D+01 -0.125865D+01 -0.175321D+00 -0.154498D+01  0.427160D-01
      3  -0.362023D+01 -0.175321D+00 -0.234921D+01 -0.985291D-01 -0.524354D+00
               186           187           188           189           190 
      1  -0.985291D-01 -0.556001D+01  0.454848D-01 -0.267723D+01 -0.216540D+00
      2  -0.524354D+00  0.454848D-01 -0.691413D+00 -0.694305D+00  0.933612D+00
      3  -0.796445D+00 -0.267723D+01 -0.694305D+00 -0.217783D+01 -0.393826D+00
               191           192           193           194           195 
      1   0.933612D+00 -0.393826D+00  0.109192D+01 -0.640864D+00  0.200234D+00
      2  -0.258499D+00 -0.147305D-01 -0.640864D+00  0.303716D+01 -0.211303D+01
      3  -0.147305D-01 -0.231979D+00  0.200234D+00 -0.211303D+01  0.245891D+01
               196           197           198           199           200 
      1  -0.129349D+01  0.645557D+00 -0.527106D+00  0.586422D+01  0.201091D+00
      2   0.645557D+00 -0.378866D+01  0.325032D+01  0.201091D+00  0.209238D+01
      3  -0.527106D+00  0.325032D+01 -0.528605D+01  0.153337D+01  0.496437D+00
               201           202           203           204           205 
      1   0.153337D+01  0.530772D+00  0.735142D+00  0.219961D+00  0.217590D+01
      2   0.496437D+00  0.735142D+00  0.954533D+00  0.331519D+00  0.308452D+00
      3   0.150985D+01  0.219961D+00  0.331519D+00  0.771884D+00  0.854908D+00
               206           207           208           209           210 
      1   0.308452D+00  0.854908D+00 -0.616601D+01  0.360787D+01  0.253274D+01
      2   0.112618D+01  0.111575D+01  0.360787D+01 -0.328883D+01 -0.129780D+01
      3   0.111575D+01  0.129835D+01  0.253274D+01 -0.129780D+01 -0.186986D+01
               211           212           213           214           215 
      1   0.255975D+01 -0.257240D+01 -0.108040D+01  0.359780D+01 -0.208060D+01
      2  -0.257240D+01  0.266041D+01  0.110445D+01 -0.208060D+01  0.225008D+01
      3  -0.108040D+01  0.110445D+01  0.122934D+01 -0.221150D+01  0.193814D+01
               216           217           218           219           220 
      1  -0.221150D+01  0.593371D+01  0.423689D+00  0.120559D+01  0.540910D+00
      2   0.193814D+01  0.423689D+00  0.852706D+00 -0.167201D+00  0.160047D+00
      3   0.192606D+01  0.120559D+01 -0.167201D+00  0.258811D+01  0.775971D-01
               221           222           223           224           225 
      1   0.160047D+00  0.775971D-01  0.201518D+01 -0.532656D-01  0.112041D+01
      2  -0.433208D+00  0.439870D+00 -0.532656D-01  0.632337D+00  0.123242D+00
      3   0.439870D+00  0.765714D+00  0.112041D+01  0.123242D+00  0.269162D+01
               226           227           228           229           230 
      1  -0.107267D+01 -0.117225D+01  0.658690D+00 -0.223873D+01 -0.214495D+01
      2  -0.117225D+01 -0.143577D+01  0.538733D-01 -0.214495D+01 -0.842292D+01
      3   0.658690D+00  0.538733D-01 -0.424581D+00  0.494718D+00  0.932768D+00
               231           232           233           234           235 
      1   0.494718D+00  0.160415D+00 -0.161177D+00 -0.248150D+00 -0.687263D+01
      2   0.932768D+00 -0.161177D+00 -0.506449D+00 -0.562575D+00  0.882817D+00
      3  -0.142625D+01 -0.248150D+00 -0.562575D+00  0.145601D-01  0.426538D+01
               236           237           238           239           240 
      1   0.882817D+00  0.426538D+01  0.266312D+01 -0.136610D+01 -0.161934D+01
      2  -0.132981D+01 -0.475690D+00 -0.136610D+01  0.443997D+00  0.790310D+00
      3  -0.475690D+00 -0.336189D+01 -0.161934D+01  0.790310D+00  0.196343D+01
               241           242           243           244           245 
      1   0.408301D+01 -0.561919D+00 -0.343071D+01 -0.222235D+00 -0.153954D+01
      2  -0.561919D+00  0.641450D+00  0.741545D+00 -0.153954D+01  0.860000D+00
      3  -0.343071D+01  0.741545D+00  0.382899D+01  0.367464D+00 -0.362078D+00
               246           247           248           249           250 
      1   0.367464D+00 -0.299228D+01  0.136322D+01 -0.775998D+00  0.739758D+00
      2  -0.362078D+00  0.136322D+01 -0.442021D+01  0.193951D+01 -0.509432D+00
      3   0.756337D+00 -0.775998D+00  0.193951D+01 -0.210830D+01  0.139143D+01
               251           252           253           254           255 
      1  -0.509432D+00  0.139143D+01 -0.700219D+01 -0.155478D+01 -0.603269D+01
      2   0.208732D+01 -0.140999D+01 -0.155478D+01  0.609829D+00 -0.486703D+00
      3  -0.140999D+01  0.249156D+01 -0.603269D+01 -0.486703D+00  0.122775D+01
               256           257           258           259           260 
      1   0.282136D+01  0.219265D+01  0.106398D+01 -0.308512D+01  0.480350D+00
      2   0.219265D+01 -0.162310D+01  0.338603D+01  0.480350D+00  0.334228D+01
      3   0.106398D+01  0.338603D+01  0.234039D+01  0.263353D+01  0.976510D+00
               261           262           263           264           265 
      1   0.263353D+01  0.474640D+01 -0.163160D+01 -0.328045D+01  0.508203D+00
      2   0.976510D+00 -0.163160D+01  0.135185D+01  0.102019D+01  0.515461D+00
      3  -0.101895D+01 -0.328045D+01  0.102019D+01  0.311902D+01 -0.501702D+00
               266           267           268           269           270 
      1   0.515461D+00 -0.501702D+00 -0.462439D+01  0.155415D+01  0.449255D+01
      2  -0.795075D+00 -0.443420D+00  0.155415D+01 -0.179109D+01 -0.170625D+01
      3  -0.443420D+00  0.379280D+00  0.449255D+01 -0.170625D+01 -0.563777D+01
               271           272           273           274           275 
      1   0.287191D+00  0.718724D+00  0.155795D+00  0.164919D+01  0.106257D+00
      2   0.718724D+00 -0.727285D+00 -0.404847D-01  0.106257D+00  0.588617D+01
      3   0.155795D+00 -0.404847D-01 -0.408838D+00  0.320220D+00 -0.394066D+00
               276           277           278           279           280 
      1   0.320220D+00 -0.939323D+00 -0.141351D+00 -0.521761D+00  0.111670D+02
      2  -0.394066D+00 -0.141351D+00 -0.204796D+01  0.264635D+00  0.210004D+01
      3   0.153120D+01 -0.521761D+00  0.264635D+00 -0.111563D+01  0.515154D+01
               281           282           283           284           285 
      1   0.210004D+01  0.515154D+01  0.371810D+00  0.102877D+01  0.202304D+00
      2   0.162982D+01  0.131636D+01  0.102877D+01  0.638887D+00  0.390179D+00
      3   0.131636D+01  0.367695D+01  0.202304D+00  0.390179D+00 -0.127451D+00
               286           287           288           289           290 
      1   0.368932D+01  0.734279D+00  0.268878D+01 -0.181214D+01  0.167548D+00
      2   0.734279D+00  0.362534D+00  0.670518D+00  0.167548D+00 -0.985347D+00
      3   0.268878D+01  0.670518D+00  0.286122D+01  0.211030D+01 -0.656442D+00
               291           292           293           294           295 
      1   0.211030D+01 -0.598325D+00 -0.449608D+00 -0.935511D-01  0.216745D+01
      2  -0.656442D+00 -0.449608D+00  0.190838D+00  0.317477D+00 -0.876859D-01
      3  -0.363112D+01 -0.935511D-01  0.317477D+00 -0.840231D+00 -0.154248D+01
               296           297 
      1  -0.876859D-01 -0.154248D+01
      2   0.793986D+00  0.692005D+00
      3   0.692005D+00  0.618471D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.827327D+00  0.322698D+01 -0.987121D-01  0.536892D+01  0.929336D+00
      2   0.480033D+01 -0.402248D+01  0.427092D+01 -0.108256D+01 -0.526146D+01
      3  -0.135670D+02 -0.678669D+01  0.211414D+01 -0.116133D+01 -0.184455D+01
                 6             7             8             9            10 
      1  -0.219915D+01  0.551834D+01  0.256775D+01  0.112099D+01 -0.452999D+01
      2   0.205039D+01 -0.119991D+02 -0.318121D+01  0.779837D+00 -0.737854D+01
      3   0.956980D+00  0.587744D+01  0.112299D+01 -0.632736D+00  0.189756D+02
                11            12            13            14            15 
      1  -0.229720D+01  0.594421D+00 -0.962568D+01  0.501030D+01 -0.144125D+01
      2   0.114516D+01 -0.277549D+01  0.666982D+01  0.430784D+01 -0.191603D+01
      3   0.149512D+01  0.205533D+01  0.196388D+02  0.188348D+01  0.216859D+01
                16            17            18            19            20 
      1   0.319679D+01  0.644763D+01 -0.574092D+01  0.118682D+00 -0.109720D+01
      2  -0.151397D+02 -0.199181D+01 -0.270197D+00  0.449551D+01 -0.498867D+00
      3  -0.688213D+00  0.149104D+01  0.877118D+00  0.622820D+01 -0.421824D+01
                21            22            23            24            25 
      1  -0.156624D-01 -0.190803D+01 -0.203537D+01 -0.257057D+01 -0.657341D+01
      2   0.146613D+01 -0.640079D+01  0.203729D+01 -0.114965D+01 -0.102235D+02
      3   0.282246D+01 -0.112160D+01  0.716534D+00 -0.146758D+01  0.976968D+01
                26            27            28            29            30 
      1   0.177135D+01 -0.411655D+01  0.248533D+01 -0.452455D+01  0.366260D+01
      2   0.153695D+01 -0.268041D+01  0.508059D+01  0.192478D+01 -0.678954D-01
      3  -0.175411D+01  0.476018D+01 -0.155892D+02  0.100361D+01 -0.436562D+01
                31            32            33            34            35 
      1  -0.656564D+01  0.421101D+01 -0.117187D+01  0.777164D+01  0.684121D+01
      2   0.479294D+01  0.432971D+01  0.179249D+01 -0.107143D+02 -0.100434D+01
      3   0.222464D+02  0.395774D+01  0.191813D+01 -0.871217D+01  0.147864D+01
                36            37            38            39            40 
      1  -0.195826D+01 -0.371182D+01  0.104980D+01 -0.808340D+00  0.712870D+00
      2  -0.572590D+01  0.339867D+00 -0.389504D+01  0.370187D+01 -0.531174D-03
      3  -0.579803D+01  0.448431D+01 -0.404620D+01  0.517872D+01  0.129506D+02
                41            42            43            44            45 
      1   0.496030D+00 -0.187281D+01  0.379556D+01  0.122796D+01  0.446276D+01
      2  -0.401315D+01 -0.388105D+00 -0.959969D+01 -0.301874D+01  0.996084D+00
      3  -0.285584D+00  0.328465D+01  0.473668D+01  0.349707D+00  0.391435D+00
                46            47            48            49            50 
      1   0.466945D+01  0.955066D+00 -0.208112D+01 -0.504082D+01 -0.807659D+00
      2   0.644774D+01 -0.102403D+01  0.168104D+01 -0.840749D+01  0.204281D+01
      3  -0.658598D+01 -0.377955D+01 -0.180284D+01  0.987399D+01 -0.523612D+00
                51            52            53            54            55 
      1  -0.363135D+01 -0.667881D+01  0.268666D+01 -0.163567D+01  0.285954D+01
      2   0.133397D-01 -0.701514D+01  0.308807D+01 -0.281650D+01  0.216681D+02
      3   0.153577D+01 -0.554363D+01 -0.301877D+01  0.131738D+01 -0.164122D+02
                56            57            58            59            60 
      1  -0.376006D+00 -0.136187D+01 -0.337711D+01 -0.710796D+01 -0.695441D+01
      2  -0.445677D+01 -0.293957D+01 -0.899346D+01 -0.138330D+01  0.110089D+02
      3   0.517078D+01  0.301048D+01  0.228182D+02  0.145259D+02  0.702681D+01
                61            62            63            64            65 
      1  -0.188614D+01 -0.164355D+01  0.751681D+01 -0.241402D+01 -0.121623D+00
      2  -0.252973D+02  0.105636D+02 -0.119122D+02 -0.328009D+02  0.425983D+01
      3   0.798812D+01  0.282207D+01 -0.111730D+02  0.190395D+02 -0.817156D+01
                66            67            68            69            70 
      1   0.358598D+00  0.428704D+01  0.498153D+00 -0.370594D+01 -0.981934D-01
      2   0.212974D+01  0.109927D+02  0.420668D+00 -0.134141D+02  0.488309D+01
      3  -0.242177D+01 -0.388254D+01 -0.193508D+02 -0.384078D+01 -0.121788D+02
                71            72            73            74            75 
      1   0.317224D+01 -0.506161D+00  0.948960D+01 -0.282834D+01 -0.898865D+00
      2  -0.154003D+02  0.635595D+01  0.205095D+02 -0.431077D+01  0.105927D+01
      3  -0.496023D+01  0.158271D+02 -0.173406D+02 -0.349487D+01 -0.458601D+01
                76            77            78            79            80 
      1  -0.213806D+01 -0.265161D+01  0.679229D+01 -0.331093D+01  0.133802D+02
      2  -0.399199D+01 -0.307096D+01  0.138734D+02 -0.550608D+01  0.177074D+02
      3  -0.273839D+01  0.135821D+02  0.570072D+01 -0.506755D+01  0.881571D+01
                81            82            83            84            85 
      1  -0.639865D+01 -0.597402D+01  0.305913D+01  0.262558D+01  0.553219D+01
      2  -0.107617D+02  0.257456D+02 -0.225094D+01  0.835210D+01 -0.510947D+01
      3  -0.178294D+02 -0.887728D+01  0.521703D+01  0.845579D+01  0.117443D+02
                86            87            88            89            90 
      1   0.122622D+02 -0.490548D+01  0.370465D+01  0.119110D+01 -0.469965D+01
      2  -0.244158D+01  0.104632D+02  0.650226D+01  0.105118D+02 -0.256020D+01
      3   0.269169D+02 -0.223636D+00  0.126577D+02  0.463131D+01 -0.129342D+02
                91            92            93            94            95 
      1  -0.189652D+01 -0.228835D+01 -0.575715D+00 -0.517667D+01  0.186716D+01
      2   0.128969D+02 -0.122234D+01 -0.572539D+00 -0.366867D+01 -0.999460D+01
      3  -0.517158D+00 -0.138681D+01  0.145796D+01  0.149183D+02 -0.719748D+01
                96            97            98            99           100 
      1  -0.829792D+01  0.159769D+01  0.401607D+00  0.607298D+00  0.220354D+01
      2  -0.334911D+01 -0.297299D+02 -0.100006D+01  0.189225D+01 -0.243222D+02
      3   0.130607D+02  0.338066D+01  0.112729D+02  0.254643D+01  0.316504D+01
               101           102           103           104           105 
      1   0.695416D+01  0.273535D+01  0.248373D+01  0.281537D+01  0.722771D+01
      2   0.322760D+01  0.852693D+01  0.120558D+02  0.845889D+01 -0.100294D+02
      3   0.172144D+01 -0.111284D+01  0.601350D+01  0.123962D+02 -0.919742D+01
               106           107           108           109           110 
      1  -0.137403D+01  0.430510D+01 -0.141987D+00 -0.143069D+01 -0.348918D+01
      2  -0.134380D+01 -0.198537D+01  0.710093D+01  0.748426D+00 -0.115161D+01
      3   0.820009D-01 -0.188681D+02 -0.368787D+00 -0.105940D+02 -0.122051D+02
               111           112           113           114           115 
      1  -0.328861D+01  0.334420D+00 -0.573593D+01 -0.823779D+01 -0.101842D+01
      2   0.542913D+01 -0.104391D+02 -0.763762D+01  0.146944D+02  0.636784D+01
      3   0.971625D+00 -0.439467D+01 -0.331113D+02  0.504452D+01 -0.175592D+01
               116           117           118           119           120 
      1   0.382011D+01  0.180901D+01  0.268914D+01 -0.424796D+00 -0.707452D+00
      2   0.894187D+01 -0.124410D+02  0.104009D+02 -0.418661D+01 -0.844127D+01
      3   0.127889D+02 -0.792654D+01  0.495726D+01 -0.218268D+01  0.914737D+00
               121           122           123           124           125 
      1   0.296897D+01  0.334033D+01 -0.785719D+01 -0.179101D+01  0.139628D+01
      2   0.938601D+00 -0.534257D+01 -0.510539D+01 -0.107316D+02 -0.240440D+01
      3  -0.625661D+00  0.204404D+02  0.433882D+01  0.353026D+01  0.106797D+01
               126           127           128           129           130 
      1   0.242797D+01 -0.950493D+00  0.108616D+01  0.104432D+01  0.135893D+01
      2   0.100356D+02 -0.326477D+01  0.948878D+00  0.582701D-01  0.231218D+01
      3   0.484300D+01 -0.323999D+01  0.406319D+00 -0.324541D+00  0.280213D+01
               131           132           133           134           135 
      1  -0.337482D+01 -0.143899D+01 -0.152184D+01  0.417657D+01 -0.799655D-01
      2   0.311473D+00 -0.187959D+01 -0.427195D+01  0.278633D+00  0.120092D+01
      3   0.145116D+01 -0.631944D+00 -0.235707D+01 -0.922879D+00  0.180830D+00
               136           137           138           139           140 
      1  -0.161246D+01 -0.242032D+01 -0.170360D+01 -0.117384D+01 -0.170702D+01
      2   0.444135D+01  0.166462D+01  0.802698D+00  0.250203D+01  0.147247D+01
      3   0.634527D+01  0.365844D+00 -0.318417D+00  0.506096D+01 -0.126029D+01
               141           142           143           144           145 
      1  -0.296490D+01 -0.185517D+00  0.190967D+01  0.277422D-01  0.174794D+01
      2   0.141096D+01 -0.902667D+00 -0.490764D+00 -0.686297D+00 -0.116498D+01
      3  -0.167454D+00  0.652049D+00  0.126231D+01  0.283687D+00 -0.467054D+01
               146           147           148           149           150 
      1  -0.413847D+00  0.277605D+01 -0.773910D+00  0.367178D+00 -0.475099D+01
      2   0.308799D-01  0.553386D+00  0.955712D+00  0.666670D+00 -0.210511D+01
      3   0.739568D+00 -0.181680D+01  0.388158D+01  0.695307D-01  0.965255D+00
               151           152           153           154           155 
      1   0.562995D+00  0.149712D+01  0.220934D+01  0.873246D+00 -0.644353D+00
      2  -0.272454D+01 -0.227142D+00  0.765230D+00  0.146303D+01  0.529147D+00
      3  -0.360002D+01  0.644431D+00 -0.118249D+01  0.690413D+01  0.316074D+00
               156           157           158           159           160 
      1  -0.221286D+01  0.183598D+01  0.158177D+01 -0.420635D+01 -0.203966D+00
      2   0.106720D+01  0.158453D+00  0.351827D+00  0.192417D+01 -0.145428D+01
      3  -0.898830D+00  0.607486D+01 -0.148081D+01 -0.601094D+00  0.938959D-01
               161           162           163           164           165 
      1   0.867021D+00  0.853160D+00  0.192061D+01  0.198744D+01 -0.181761D+00
      2   0.124142D+00 -0.579985D+00 -0.320441D+01 -0.329156D-01  0.334242D+01
      3   0.113635D+01  0.802312D-01 -0.441338D+01 -0.577807D+01 -0.218773D+01
               166           167           168           169           170 
      1   0.249755D+01  0.907907D+01 -0.728969D+00  0.670422D+00  0.202232D+01
      2  -0.160987D+01  0.383328D+01  0.470676D+01  0.254259D+01  0.193922D+01
      3  -0.239851D+01 -0.213653D+02 -0.759179D+01 -0.356992D+01 -0.310620D+01
               171           172           173           174           175 
      1  -0.684091D-01 -0.169376D+01  0.923842D+00 -0.465417D+00  0.156638D+01
      2   0.375199D+01  0.263299D+01  0.509851D+00  0.298369D+01  0.273085D+01
      3  -0.251281D+01  0.447740D+01 -0.325379D+01  0.109980D+01 -0.357326D+01
               176           177           178           179           180 
      1  -0.247288D+01  0.264793D+01 -0.168650D+01  0.577320D+01 -0.657959D+01
      2   0.308348D+01 -0.868109D+01  0.187776D+01 -0.329254D+01  0.235121D+02
      3   0.217332D+01 -0.541783D+01  0.210296D+01 -0.467223D+01  0.648999D+01
               181           182           183           184           185 
      1   0.319577D+00  0.117773D+01 -0.208827D-01  0.215482D+00  0.739757D-02
      2   0.871125D+01  0.267563D-02  0.115795D+02 -0.144139D+01  0.135489D+01
      3  -0.370268D+01 -0.881548D+01 -0.333555D+00 -0.444893D+01  0.868336D+00
               186           187           188           189           190 
      1  -0.810180D+00 -0.140481D+00  0.167653D+01  0.248968D+00  0.455044D+00
      2   0.382322D+01  0.544927D+01  0.360467D+01  0.816480D+01  0.186715D+01
      3  -0.211077D+01  0.162619D+01 -0.354945D+01 -0.320525D+01  0.535497D+01
               191           192           193           194           195 
      1   0.152760D-01  0.121644D+00 -0.181084D+00  0.308873D+01 -0.691346D+01
      2   0.160875D+00  0.121180D+01  0.268858D+00  0.779714D+01 -0.927696D+01
      3  -0.293255D+00 -0.631823D+00  0.159063D+01  0.110608D+02 -0.870535D+01
               196           197           198           199           200 
      1   0.178923D+00 -0.311988D+01  0.119239D+02 -0.281109D+01 -0.189006D+00
      2  -0.145189D+01 -0.117808D+02  0.203100D+02 -0.864937D+01 -0.198085D+01
      3  -0.142760D+01 -0.151722D+02  0.134154D+02  0.195308D+02  0.751368D+01
               201           202           203           204           205 
      1  -0.406189D+01 -0.349687D+00 -0.911272D+00 -0.236823D+01 -0.232593D+01
      2  -0.472206D+01 -0.757957D+00 -0.152896D+01 -0.221773D+01 -0.602243D+01
      3   0.589440D+01  0.705401D+01  0.442929D+01  0.233953D+01  0.621884D+01
               206           207           208           209           210 
      1  -0.412344D+00 -0.250877D+01 -0.563987D+01  0.184289D+01  0.535147D+01
      2  -0.395353D+01 -0.421674D+01 -0.100978D+02  0.523556D+01  0.968629D+01
      3   0.463909D+01  0.681574D+01  0.307220D+01 -0.977252D+01 -0.433493D+00
               211           212           213           214           215 
      1   0.294189D+01 -0.208614D+01 -0.418307D+01  0.470315D+01 -0.217497D+01
      2   0.358066D+01 -0.453566D+01 -0.584381D+01  0.731167D+01 -0.784532D+01
      3  -0.304006D+01  0.682899D+01  0.219314D+01 -0.153879D+00  0.672281D+01
               216           217           218           219           220 
      1  -0.456884D+01  0.424438D+00  0.266884D+01  0.133683D+01  0.102577D+01
      2  -0.867474D+01 -0.207840D+02  0.394552D+00 -0.124712D+02 -0.338913D+00
      3   0.452271D+01 -0.420300D+01  0.217797D+01 -0.187820D+01  0.313791D+01
               221           222           223           224           225 
      1  -0.181605D+00 -0.310281D+00  0.597737D+00  0.220435D+01  0.194187D+01
      2  -0.229091D+01 -0.302514D+01 -0.116366D+02 -0.547155D+00 -0.126544D+02
      3  -0.204147D+01  0.137131D+01 -0.242830D+01  0.143101D+01 -0.789400D+00
               226           227           228           229           230 
      1  -0.988826D+00 -0.208297D+01 -0.566393D+00 -0.211442D+01 -0.122544D+02
      2  -0.292321D+01  0.800787D+00  0.164570D+01  0.833761D+00 -0.299412D+01
      3  -0.489743D+01 -0.578695D+01 -0.186532D+00 -0.300088D+01 -0.350613D+02
               231           232           233           234           235 
      1  -0.351065D+01 -0.137689D+00  0.430211D-01 -0.997060D+00  0.465164D+01
      2   0.638794D+01 -0.809372D+00  0.213878D+01  0.639454D+00 -0.915274D+01
      3   0.315661D+01 -0.537178D+00 -0.230981D+01 -0.211069D+01  0.832404D+01
               236           237           238           239           240 
      1  -0.402835D+01 -0.300553D+01 -0.293455D+01  0.186109D+01  0.107761D+01
      2   0.571878D+00  0.115081D+02  0.300388D+01 -0.183406D+01 -0.758341D+01
      3  -0.903221D+01 -0.479306D+01 -0.683895D+01  0.332664D+01  0.402082D+01
               241           242           243           244           245 
      1  -0.413069D+01  0.342364D+01  0.351756D+01 -0.200573D+01  0.108705D+01
      2   0.627403D+01 -0.230390D+01 -0.134443D+02  0.145974D+01  0.222873D+00
      3  -0.545664D+01  0.439617D+01  0.557981D+01  0.544132D+01 -0.269487D+01
               246           247           248           249           250 
      1  -0.280988D+00  0.911982D+00 -0.515725D+01 -0.779836D+00 -0.750374D+00
      2   0.278619D+01  0.838507D+00  0.481580D+01 -0.517453D+01  0.149614D+01
      3   0.148088D+01  0.905294D+00  0.131035D+02 -0.547881D+01  0.914111D+00
               251           252           253           254           255 
      1   0.336894D+01 -0.364417D+00  0.394583D+01  0.376628D+01 -0.383060D+01
      2  -0.355632D+01  0.566212D+01 -0.512440D+01  0.106099D+01  0.181893D+02
      3  -0.650788D+01  0.375073D+01 -0.433925D+01 -0.703515D+01 -0.634740D+01
               256           257           258           259           260 
      1   0.452513D+01 -0.102031D+02  0.397487D+01 -0.125949D+01  0.909480D+01
      2   0.149805D+01  0.840180D+01  0.615918D+01  0.146389D+02  0.308583D+01
      3  -0.783837D+01  0.722682D+01 -0.124953D+02 -0.738553D+01 -0.115474D+02
               261           262           263           264           265 
      1   0.536453D+01 -0.236053D+01 -0.102168D+01  0.287866D+01  0.428997D+00
      2  -0.720402D+01 -0.867133D+01  0.381454D+01  0.109112D+02 -0.156684D+01
      3  -0.171811D+01  0.195117D+01 -0.484402D+01 -0.108724D+01 -0.879616D+00
               266           267           268           269           270 
      1  -0.100322D+01 -0.552846D+00  0.372839D+01  0.102056D+01 -0.474452D+01
      2  -0.145512D+01  0.164974D+01  0.128424D+02 -0.582131D+01 -0.209799D+02
      3   0.166067D+01  0.116142D+01 -0.142921D+01  0.664758D+01  0.263675D+01
               271           272           273           274           275 
      1   0.231113D+01 -0.178623D+01  0.143143D+01 -0.101974D+01  0.134966D+02
      2   0.267790D+00 -0.101869D+01 -0.111246D+01 -0.151641D+01 -0.104936D+01
      3  -0.354669D+01  0.270308D+01 -0.588320D+00  0.420369D+01 -0.175896D+02
               276           277           278           279           280 
      1  -0.619188D+01  0.146092D+01 -0.400065D+01  0.483162D+01 -0.135291D+01
      2   0.364720D+01 -0.171143D+01  0.846668D+00 -0.256247D+01 -0.520218D+01
      3   0.211290D+01 -0.294345D+01  0.654820D+01 -0.194904D+01  0.492591D+01
               281           282           283           284           285 
      1   0.351942D+01 -0.196076D+01  0.163638D+01  0.140788D+01 -0.641755D+00
      2   0.876729D+00  0.498740D+01 -0.180767D+00 -0.871533D+00 -0.453479D+00
      3  -0.602583D+01  0.664214D+00 -0.133983D+01 -0.165011D+01 -0.228472D+00
               286           287           288           289           290 
      1  -0.166568D+01  0.119925D+01 -0.208465D+01 -0.261933D+01 -0.328606D+01
      2  -0.187321D+00  0.527341D+00  0.485377D+01  0.124077D+02 -0.153412D+01
      3   0.229067D+01 -0.151811D+01  0.574227D+00 -0.362083D+01  0.188325D+01
               291           292           293           294           295 
      1   0.321005D+01 -0.189679D+01 -0.425525D+00  0.507537D-01  0.219187D+01
      2  -0.134008D+02  0.137344D+01  0.201894D+01 -0.201267D+01 -0.114781D+02
      3   0.419957D+01  0.213204D+01 -0.914638D+00 -0.552615D+00  0.331378D+01
               296           297 
      1   0.275533D+01 -0.587455D+01
      2   0.196866D+01  0.205040D+02
      3  -0.136189D+01 -0.476227D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.234435D+01  0.129014D+02 -0.441023D+01 -0.274912D+02  0.143972D+02
      2   0.579223D+01 -0.124033D+02  0.667052D+01  0.169748D+02 -0.387658D+01
      3  -0.344788D+01 -0.498060D+00 -0.226028D+01  0.105164D+02 -0.105206D+02
      4   0.971954D+01  0.445007D+01  0.571591D+01  0.147841D+02 -0.352837D+00
      5  -0.899757D+01  0.727166D+01 -0.556887D+01 -0.618172D+01 -0.334401D+01
      6   0.822942D+01  0.131608D+01  0.691090D+00 -0.538627D+01  0.872058D+01
                 6             7             8             9            10 
      1  -0.128233D+02  0.964437D+01  0.360053D+01 -0.988935D+01  0.594398D+02
      2   0.624554D+01 -0.758824D+01  0.195240D+01 -0.971686D+01 -0.314497D+02
      3   0.657781D+01 -0.205612D+01 -0.555293D+01  0.196062D+02 -0.279900D+02
      4  -0.318807D+01  0.979532D+01 -0.759877D+01  0.367490D+01 -0.225179D+01
      5  -0.120055D+01  0.397346D+01  0.345536D+01 -0.229483D+01  0.999225D+01
      6  -0.604700D+01  0.641310D+01 -0.144996D+01  0.405895D+01  0.126576D+01
                11            12            13            14            15 
      1  -0.242165D+01  0.736789D+01 -0.108214D+02 -0.154274D+02  0.582481D+01
      2   0.636255D+01 -0.629641D+01  0.394893D+01  0.122256D+02 -0.105268D+02
      3  -0.394091D+01 -0.107148D+01  0.687250D+01  0.320180D+01  0.470198D+01
      4   0.678342D+01 -0.480085D+01 -0.100119D+02  0.392505D+01  0.907590D+00
      5  -0.418316D+01  0.796621D+00  0.121562D+02  0.120373D+00  0.103654D+01
      6   0.178682D+01 -0.715067D+00 -0.453967D+00 -0.398526D+01  0.551517D+01
                16            17            18            19            20 
      1   0.358218D+01  0.708378D+01 -0.669203D+01  0.234289D+01 -0.137399D+02
      2  -0.549169D+01 -0.183845D+01 -0.192895D+01 -0.944963D+01  0.587107D+01
      3   0.190951D+01 -0.524533D+01  0.862098D+01  0.710675D+01  0.786885D+01
      4   0.141901D+02  0.295757D+01 -0.166181D+00 -0.130992D+02 -0.669914D+01
      5   0.992076D+01  0.780626D-01  0.555049D+01  0.245241D+01 -0.293552D+01
      6   0.951394D+01  0.113832D+02  0.492404D+01 -0.526894D+01 -0.497065D+01
                21            22            23            24            25 
      1   0.120034D+02  0.178814D+02  0.130751D+01 -0.283932D+01 -0.110575D+02
      2  -0.116416D+01 -0.121960D+02 -0.128257D+01  0.307253D+01  0.115626D+02
      3  -0.108393D+02 -0.568531D+01 -0.249379D-01 -0.233210D+00 -0.505101D+00
      4  -0.759460D+00  0.635468D+01 -0.518115D+01  0.580225D+01 -0.774268D+01
      5   0.706907D+01  0.328793D+01  0.716256D+01 -0.231778D+01  0.728001D+01
      6   0.116523D+01  0.125436D+02  0.806201D+01  0.464424D+01 -0.741576D+01
                26            27            28            29            30 
      1  -0.133680D+02 -0.110215D+01  0.112166D+02  0.413724D+01  0.291756D+01
      2   0.142077D+02 -0.459600D+01 -0.102474D+02 -0.474200D+01 -0.318344D+01
      3  -0.839710D+00  0.569814D+01 -0.969214D+00  0.604759D+00  0.265883D+00
      4  -0.501539D+00 -0.288635D+01 -0.110301D+01  0.520829D+01 -0.181922D+01
      5  -0.163079D+01 -0.499722D+01  0.565003D+01 -0.138421D+01  0.337101D+01
      6   0.258504D+00 -0.258154D+00  0.784394D+01  0.227067D+01 -0.199137D+01
                31            32            33            34            35 
      1  -0.693017D+01 -0.147999D+02  0.498512D+01 -0.559688D+01  0.785499D+01
      2  -0.227630D+01  0.860913D+01 -0.122974D+02  0.332837D+00 -0.627849D+01
      3   0.920648D+01  0.619072D+01  0.731231D+01  0.526405D+01 -0.157650D+01
      4  -0.949935D+01 -0.236754D+01  0.163848D+01  0.153157D+02  0.293933D+01
      5   0.127608D+02  0.183873D+01  0.561296D+01  0.147536D+02  0.167924D+01
      6  -0.551375D+01 -0.659724D+01  0.442005D+01  0.367849D+01  0.989886D+01
                36            37            38            39            40 
      1  -0.236466D+01  0.846007D+01  0.196279D+02 -0.155826D+01 -0.174297D+02
      2  -0.156268D+01  0.263994D+01 -0.197391D+02  0.467479D+01  0.149050D+02
      3   0.392734D+01 -0.111000D+02  0.111258D+00 -0.311653D+01  0.252474D+01
      4   0.911625D+00  0.711034D+01 -0.986498D+00  0.614247D+01  0.961007D+01
      5  -0.126859D+01 -0.724952D+01  0.840808D+01 -0.608960D+01  0.968240D+00
      6   0.269353D+01  0.534611D+01 -0.382783D+01 -0.336216D+00 -0.874196D+01
                41            42            43            44            45 
      1   0.587273D+01 -0.103060D+02  0.635906D+01 -0.286044D+01 -0.800862D+01
      2   0.351377D+01  0.974507D+01 -0.987637D+01  0.789773D+01 -0.610317D+01
      3  -0.938650D+01  0.560895D+00  0.351732D+01 -0.503729D+01  0.141118D+02
      4   0.232309D+01 -0.502471D+01  0.505233D+01 -0.111299D+02  0.490886D+01
      5  -0.427623D+01 -0.298864D+01  0.857328D+01  0.454134D+01 -0.116832D+01
      6   0.124703D+02 -0.695646D+01  0.576938D+01  0.122052D+01 -0.542441D+00
                46            47            48            49            50 
      1  -0.120559D+01 -0.147741D+02  0.732719D+01  0.252399D+02 -0.543381D+01
      2  -0.734430D+01  0.702374D+01 -0.339057D+01 -0.201451D+02  0.348069D+01
      3   0.854989D+01  0.775038D+01 -0.393662D+01 -0.509489D+01  0.195312D+01
      4  -0.106333D+02 -0.964699D+01 -0.777426D+00  0.574331D-01 -0.760974D+01
      5  -0.339144D+01 -0.295979D+01  0.837386D+01  0.827525D+01  0.554897D+01
      6  -0.324250D+01 -0.736216D+01  0.492535D+01  0.104747D+02  0.114175D+02
                51            52            53            54            55 
      1  -0.194637D+01 -0.272140D+02 -0.199851D+02 -0.132354D+00 -0.501455D+02
      2   0.375739D+01  0.167667D+02  0.218637D+02 -0.173778D+01  0.225300D+02
      3  -0.181102D+01  0.104473D+02 -0.187860D+01  0.187014D+01  0.276155D+02
      4   0.584764D+01 -0.765730D+01  0.200009D+01  0.733017D+00  0.100607D+02
      5   0.385227D+00  0.982848D+01 -0.109735D+01 -0.376886D+01  0.139021D+02
      6   0.607256D+01 -0.312285D+01  0.623805D+01  0.433635D+00 -0.143569D-01
                56            57            58            59            60 
      1   0.886569D+01  0.100786D+02  0.238766D+02 -0.242539D+01 -0.917196D+01
      2  -0.447925D+01 -0.464734D+01 -0.204161D+02 -0.487040D+01 -0.680401D+01
      3  -0.438644D+01 -0.543129D+01 -0.346054D+01  0.729579D+01  0.159760D+02
      4  -0.159147D+02 -0.604818D+01 -0.253631D+02 -0.401478D+02 -0.174511D+02
      5  -0.652551D+01 -0.104231D+02 -0.910056D+01 -0.165783D+02  0.184488D+02
      6  -0.323289D+01 -0.166771D+01 -0.115529D+02 -0.141098D+02 -0.670757D+01
                61            62            63            64            65 
      1   0.367309D+02 -0.102176D+02  0.566315D+01 -0.434565D+02 -0.226552D+02
      2  -0.969105D+01 -0.319046D+01  0.137532D+02  0.259623D+02  0.968269D+01
      3  -0.270398D+02  0.134080D+02 -0.194164D+02  0.174942D+02  0.129725D+02
      4  -0.928742D+01 -0.808629D+01  0.145985D+02 -0.239761D+02  0.117566D+02
      5  -0.192975D+02  0.145781D+02 -0.340251D+02 -0.577560D+02  0.460783D+01
      6  -0.126226D+01 -0.380813D+01  0.573569D+01  0.110811D+01  0.484968D+00
                66            67            68            69            70 
      1  -0.532690D+02 -0.423907D+02  0.846407D+01  0.447923D+01 -0.858186D+02
      2   0.258976D+02  0.260924D+02 -0.922870D+01 -0.451075D+01  0.421173D+02
      3   0.273715D+02  0.162984D+02  0.764632D+00  0.315164D-01  0.437013D+02
      4   0.556313D+01  0.828923D+01  0.369508D+02  0.489742D+01  0.132222D+02
      5  -0.530204D+01  0.832437D+01  0.365469D+01 -0.263314D+02 -0.897499D+01
      6   0.107657D+01  0.131981D+01 -0.277483D+00  0.483175D+00 -0.365626D+01
                71            72            73            74            75 
      1   0.865669D+01 -0.165810D+02  0.850040D+01  0.267691D+02  0.382893D+02
      2  -0.572232D+01  0.107926D+02 -0.120224D+02 -0.965654D+01 -0.170582D+02
      3  -0.293437D+01  0.578836D+01  0.352195D+01 -0.171126D+02 -0.212311D+02
      4   0.106763D+02 -0.285475D+02  0.252438D+02 -0.234347D+02 -0.224033D+02
      5  -0.290623D+02  0.101452D+02  0.383802D+02 -0.138640D+02 -0.458291D+01
      6   0.223288D+01  0.217334D+01 -0.187370D+02  0.439606D+01 -0.443215D+00
                76            77            78            79            80 
      1   0.290320D+02 -0.143333D+02 -0.120266D+02  0.484580D+02 -0.205138D+02
      2  -0.127881D+02  0.179811D+02  0.761596D+01 -0.207961D+02  0.115985D+02
      3  -0.162440D+02 -0.364776D+01  0.441062D+01 -0.276619D+02  0.891525D+01
      4  -0.177162D+02 -0.124129D+02 -0.409636D+01 -0.284515D+02 -0.611824D+01
      5  -0.101718D+02 -0.431481D+01  0.292094D+02 -0.103574D+02  0.374682D+02
      6   0.370838D+01  0.535778D+01 -0.149951D+02  0.535599D+01 -0.173877D+02
                81            82            83            84            85 
      1   0.577443D+01  0.481550D+01  0.172654D+02  0.500539D+02  0.261840D+02
      2  -0.108949D+02  0.132550D+02 -0.125007D+02 -0.252272D+02 -0.220366D+02
      3   0.512048D+01 -0.180705D+02 -0.476479D+01 -0.248267D+02 -0.414739D+01
      4   0.379359D+02  0.190807D+02 -0.101860D+02 -0.542620D+01 -0.153743D+02
      5  -0.222350D+02  0.453989D+02 -0.108313D+02 -0.210761D+02 -0.216401D+02
      6   0.119434D+02 -0.346326D+01  0.219133D+01  0.311044D+01  0.336389D+01
                86            87            88            89            90 
      1  -0.109536D+02 -0.126218D+02  0.574952D+02 -0.783692D+01 -0.790485D+01
      2  -0.921899D+01  0.129559D+02 -0.310565D+02  0.990968D+01  0.507006D+01
      3   0.201726D+02 -0.334133D+00 -0.264387D+02 -0.207276D+01  0.283479D+01
      4  -0.591597D+02 -0.144699D+01 -0.976434D+01 -0.107834D+02  0.234838D+02
      5   0.216864D+01  0.263549D+02 -0.191337D+02  0.245516D+02  0.978021D+00
      6   0.997852D+01  0.317863D+01  0.507237D+01  0.354785D+01 -0.883981D+01
                91            92            93            94            95 
      1  -0.441461D-01  0.900388D+01  0.160174D+02  0.654457D+01  0.471617D+01
      2  -0.849246D+00 -0.426363D+01 -0.448754D+01  0.307038D+00  0.249773D+01
      3   0.893392D+00 -0.474025D+01 -0.115299D+02 -0.685161D+01 -0.721390D+01
      4   0.830139D+01 -0.334451D+01 -0.348272D+00 -0.122589D+02  0.148769D+02
      5   0.130963D+02 -0.211236D+00 -0.562826D+01 -0.116912D+02 -0.247001D+02
      6   0.528445D+00 -0.549562D+01 -0.806037D+00 -0.132267D+02  0.543417D+01
                96            97            98            99           100 
      1   0.154376D+01  0.296341D+02 -0.311950D-01 -0.109634D+02 -0.615314D+01
      2   0.520702D+01 -0.124253D+02 -0.302954D+00  0.580565D+01 -0.301044D+00
      3  -0.675078D+01 -0.172088D+02  0.334149D+00  0.515773D+01  0.645419D+01
      4  -0.242110D+02 -0.994009D+01 -0.201377D+02  0.786307D+00 -0.125542D+02
      5  -0.664046D+01 -0.326171D+02  0.916444D+00 -0.181176D+01  0.406454D+01
      6  -0.160138D+02 -0.407074D+01 -0.116677D+02 -0.387796D+01  0.709910D+00
               101           102           103           104           105 
      1  -0.917637D+01 -0.528699D+01 -0.335775D+02 -0.159469D+02  0.169447D+02
      2   0.463415D+01  0.124092D+01  0.231482D+02  0.698163D+00 -0.162972D+02
      3   0.454222D+01  0.404607D+01  0.104292D+02  0.152487D+02 -0.647449D+00
      4  -0.187138D+02  0.275326D+01 -0.350686D+02 -0.172939D+02  0.191098D+02
      5   0.307571D+01  0.735681D+01  0.266811D+02  0.184017D+02 -0.235074D+02
      6   0.908697D+01 -0.493976D+00  0.100641D+02  0.283249D+01 -0.118545D+02
               106           107           108           109           110 
      1   0.915145D+01  0.568863D+01  0.153193D+02  0.471602D+02  0.254373D+02
      2   0.995882D+00 -0.306621D+01 -0.985782D+01 -0.216205D+02 -0.919224D+01
      3  -0.101473D+02 -0.262242D+01 -0.546147D+01 -0.255397D+02 -0.162450D+02
      4   0.580260D+01  0.342604D+02 -0.521146D+01  0.355709D+02  0.310954D+02
      5   0.159731D+02 -0.479495D+01 -0.355406D+01 -0.181195D+02 -0.610445D+01
      6  -0.237826D+00 -0.622744D+01  0.169785D+00 -0.679073D+01 -0.602855D+01
               111           112           113           114           115 
      1  -0.115184D+02  0.510713D+02  0.130136D+02 -0.966868D+01 -0.187631D+02
      2   0.665676D+01 -0.236110D+02  0.654712D+01  0.722936D+01  0.124623D+02
      3   0.486165D+01 -0.274603D+02 -0.195607D+02  0.243932D+01  0.630074D+01
      4  -0.395773D+01  0.432597D+02  0.684459D+02 -0.147453D+02 -0.105906D+02
      5   0.129218D+02 -0.238238D+02 -0.146188D+02  0.308456D+02  0.219154D+02
      6   0.377590D+01 -0.735300D+01 -0.168014D+02  0.152523D+02  0.361840D+01
               116           117           118           119           120 
      1  -0.800563D+00  0.255119D+01 -0.937718D-01 -0.129110D+02  0.140234D+02
      2   0.163264D+00 -0.783725D+01  0.937425D+01  0.201512D+01 -0.133484D+02
      3   0.637299D+00  0.528606D+01 -0.928048D+01  0.108959D+02 -0.674962D+00
      4  -0.245348D+02  0.190466D+02 -0.110739D+02  0.100535D+02 -0.797211D+01
      5   0.181788D+02 -0.227908D+02  0.220729D+02 -0.474886D+01 -0.227326D+02
      6   0.145478D+02 -0.983603D+01 -0.224535D+01 -0.138922D+00  0.320403D+01
               121           122           123           124           125 
      1  -0.238287D+02  0.393223D+01 -0.694970D+01  0.266937D+02 -0.123947D+02
      2   0.557579D+01  0.138759D+02  0.439416D+01 -0.215015D+02  0.637583D+01
      3   0.182529D+02 -0.178081D+02  0.255554D+01 -0.519213D+01  0.601883D+01
      4   0.339661D+02 -0.485522D+02 -0.135381D+02 -0.904302D+01 -0.141536D+01
      5   0.473842D+01 -0.107759D+02 -0.916019D+01 -0.285942D+02 -0.159051D+01
      6  -0.615573D+01  0.133831D+02  0.131764D+02  0.408056D+01  0.757921D+01
               126           127           128           129           130 
      1  -0.289226D+02  0.584674D+00  0.119431D+01 -0.316116D+01  0.280806D+01
      2   0.198623D+02 -0.122219D+01  0.176399D+00 -0.151972D+01 -0.221991D+01
      3   0.906028D+01  0.637518D+00 -0.137071D+01  0.468088D+01 -0.588149D+00
      4  -0.707635D+00 -0.685254D+01  0.682113D+01 -0.445723D+01  0.797121D+01
      5   0.304947D+02  0.443846D+01 -0.414956D+01  0.544531D+01 -0.435962D+01
      6   0.115756D+01 -0.456661D+01  0.486490D+01 -0.439097D+01  0.591966D+01
               131           132           133           134           135 
      1  -0.155980D+02  0.128008D+02 -0.486008D+00  0.913888D+01 -0.112976D+02
      2   0.115150D+02 -0.351538D+01 -0.105344D+01 -0.482212D+01  0.887008D+00
      3   0.408304D+01 -0.928539D+01  0.153945D+01 -0.431675D+01  0.104106D+02
      4  -0.111643D+02  0.641468D+01 -0.715782D+01  0.881373D+01 -0.686230D+01
      5   0.469602D+01 -0.469919D+01  0.550838D+01 -0.489729D+01  0.747999D+01
      6  -0.165034D+02  0.140371D+02 -0.555002D+01  0.123717D+02 -0.126045D+02
               136           137           138           139           140 
      1   0.433408D+01 -0.235223D+01  0.389085D+00 -0.291764D+01 -0.123863D+02
      2   0.787290D+00  0.536171D+01 -0.509813D+00  0.568883D+01  0.172637D+02
      3  -0.512137D+01 -0.300948D+01  0.120728D+00 -0.277120D+01 -0.487739D+01
      4   0.858252D+01  0.803649D+01 -0.182928D+01  0.101052D+02  0.129763D+02
      5  -0.558293D+01 -0.324761D+01  0.360927D+01 -0.588616D+01 -0.690122D+01
      6  -0.178922D+01 -0.220724D+01  0.250301D+01 -0.456206D+01 -0.869463D+01
               141           142           143           144           145 
      1   0.467903D+01  0.140658D+01  0.538849D+01 -0.334642D+01 -0.287034D+01
      2  -0.320000D+01 -0.192552D+01 -0.572460D+01  0.191637D+01  0.335551D+01
      3  -0.147903D+01  0.518939D+00  0.336110D+00  0.143005D+01 -0.485164D+00
      4  -0.345124D+01 -0.303964D+01 -0.303477D+01  0.258164D+01 -0.813356D+01
      5   0.561202D+01  0.325189D+01  0.306398D+01 -0.285126D+01  0.484720D+01
      6   0.664388D+01  0.268692D+01  0.519624D+01 -0.368088D+01 -0.632837D+01
               146           147           148           149           150 
      1   0.474406D+01 -0.431716D+01  0.620284D+01 -0.231414D+02  0.146075D+02
      2  -0.505673D+01  0.192788D+01 -0.701292D+01  0.260313D+02 -0.108223D+02
      3   0.312668D+00  0.238928D+01  0.810087D+00 -0.288989D+01 -0.378527D+01
      4   0.928809D+01 -0.596059D+01  0.895415D+01 -0.128291D+02  0.658686D+01
      5  -0.405586D+01  0.503016D+01 -0.403196D+01  0.335879D+01 -0.365234D+01
      6   0.661568D+01 -0.616577D+01  0.698249D+01 -0.197798D+02  0.156425D+02
               151           152           153           154           155 
      1  -0.452694D+01  0.146791D+02 -0.118820D+02  0.265743D+01 -0.407770D+01
      2   0.472310D+01 -0.142868D+02  0.682573D+01  0.658502D+01  0.130928D+02
      3  -0.196153D+00 -0.392299D+00  0.505630D+01 -0.924244D+01 -0.901508D+01
      4  -0.696342D+01  0.961084D+01 -0.672202D+01  0.152309D+02  0.158790D+02
      5   0.406888D+01 -0.370130D+01  0.473735D+01 -0.541134D+01 -0.368185D+01
      6  -0.578340D+01  0.140574D+02 -0.128648D+02 -0.144618D+01 -0.857997D+00
               156           157           158           159           160 
      1  -0.959453D+00 -0.143382D+01 -0.170964D+02  0.335429D+01  0.377565D+01
      2  -0.697908D+00  0.115415D+02  0.323418D+02 -0.507271D+01 -0.404759D+01
      3   0.165736D+01 -0.101077D+02 -0.152454D+02  0.171843D+01  0.271948D+00
      4  -0.283274D+01  0.175049D+02  0.244528D+02 -0.524783D+01 -0.307920D+01
      5   0.364174D+01 -0.662822D+01 -0.724261D+01  0.537849D+01  0.217402D+01
      6   0.286357D+01 -0.402862D+01 -0.748424D+01  0.667914D+01  0.271549D+01
               161           162           163           164           165 
      1   0.696488D+01 -0.305526D+01  0.136278D+02  0.737951D+01  0.367445D+00
      2  -0.100059D+02  0.324133D+01 -0.325262D+01 -0.213600D+01 -0.824773D+00
      3   0.304098D+01 -0.186071D+00 -0.103752D+02 -0.524351D+01  0.457328D+00
      4  -0.478253D+01  0.369481D+01  0.153490D+02  0.180369D+02  0.684632D+01
      5   0.383061D+01 -0.229555D+01  0.487584D+01  0.783992D+01  0.865952D+01
      6   0.511692D+01 -0.326367D+01  0.536321D+01  0.463762D+01  0.281816D+01
               166           167           168           169           170 
      1   0.143156D+02 -0.753350D+01 -0.301319D+01 -0.733936D+01 -0.125566D+01
      2  -0.235406D+01  0.178915D+02  0.283614D+01  0.251981D+01  0.553543D+00
      3  -0.119616D+02 -0.103580D+02  0.177058D+00  0.481956D+01  0.702112D+00
      4   0.261088D+02  0.503450D+02  0.185260D+02  0.495001D+01  0.690753D+01
      5   0.133801D+02  0.179864D+02  0.134906D+02  0.725658D+01  0.705245D+01
      6   0.999069D+01  0.225302D+02  0.136090D+02  0.309052D+01  0.869641D+01
               171           172           173           174           175 
      1  -0.240991D+01  0.570605D+01 -0.361878D+01  0.569176D+01 -0.133523D+02
      2  -0.845596D+00 -0.735841D+01  0.230762D+01 -0.497599D+01  0.107971D+02
      3   0.325550D+01  0.165236D+01  0.131116D+01 -0.715769D+00  0.255516D+01
      4   0.756730D+01 -0.479472D+01  0.488940D+01 -0.595268D+00  0.669959D+01
      5   0.983127D+01  0.922348D+01 -0.156138D+01  0.142083D+02 -0.813927D+01
      6   0.541764D+01 -0.205742D+01  0.106643D+01 -0.354071D-01  0.275833D+01
               176           177           178           179           180 
      1  -0.141135D+01  0.586740D+01  0.570740D+01  0.242996D+01 -0.174100D+02
      2  -0.140037D+01  0.685379D+01 -0.117274D+02  0.331314D+01 -0.234024D+02
      3   0.281173D+01 -0.127212D+02  0.601998D+01 -0.574310D+01  0.408124D+02
      4  -0.341290D+01  0.908072D+01 -0.142668D+01  0.802333D+01 -0.751440D+01
      5   0.945169D+01 -0.198738D+02  0.228138D+02 -0.751696D+01  0.532043D+02
      6  -0.326063D+01  0.684570D+01 -0.981637D+00  0.648972D+01 -0.226539D+01
               181           182           183           184           185 
      1   0.117469D+03  0.115926D+02  0.366547D+02  0.166933D+02  0.128153D+02
      2  -0.627835D+02 -0.726175D+01 -0.205393D+02 -0.851261D+01 -0.491654D+01
      3  -0.546854D+02 -0.433087D+01 -0.161154D+02 -0.818069D+01 -0.789875D+01
      4   0.102282D+02  0.149420D+02  0.162040D+01  0.190857D+02  0.950487D+00
      5   0.424809D+02  0.236093D+01  0.278698D+02  0.253993D+01  0.636924D+01
      6   0.125994D+01  0.123151D+01  0.958599D+00  0.312846D+01  0.122640D+01
               186           187           188           189           190 
      1   0.246000D+01  0.459476D+02  0.163297D+01  0.246093D+02  0.478270D+00
      2  -0.109110D+01 -0.272616D+02 -0.149849D+01 -0.178855D+02  0.844177D+00
      3  -0.136890D+01 -0.186860D+02 -0.134484D+00 -0.672377D+01 -0.132245D+01
      4   0.636292D+01  0.500255D+00  0.603354D+01  0.575292D+01 -0.819587D+01
      5   0.670535D+01  0.328554D+02  0.645339D+01  0.237596D+02  0.361442D+01
      6   0.320880D+01  0.827823D+00  0.237912D+01  0.856277D+00 -0.172023D+01
               191           192           193           194           195 
      1  -0.887370D+01  0.375390D+01 -0.697763D+01 -0.807895D+01  0.736379D+01
      2   0.442326D+01 -0.250284D+01  0.165171D+01  0.147187D+02 -0.981210D+01
      3   0.445043D+01 -0.125107D+01  0.532592D+01 -0.663975D+01  0.244831D+01
      4   0.644389D+01 -0.184073D+01  0.102481D+02 -0.232436D+02  0.160579D+02
      5  -0.123919D+01  0.521666D+01 -0.279173D+01  0.163467D+02 -0.186839D+02
      6  -0.344535D+00 -0.264089D+00  0.129710D+01 -0.128877D+02  0.154647D+02
               196           197           198           199           200 
      1   0.839081D+01  0.936523D+01 -0.110841D+02 -0.389472D+02 -0.119343D+02
      2  -0.292638D+01 -0.137410D+02  0.544246D+01  0.208489D+02  0.122476D+02
      3  -0.546443D+01  0.437576D+01  0.564164D+01  0.180983D+02 -0.313270D+00
      4  -0.965617D+01  0.299543D+02 -0.259621D+02  0.112105D+02 -0.898517D+01
      5   0.871037D+01 -0.259796D+02  0.414351D+02 -0.733036D+01 -0.144686D+01
      6  -0.353927D+01  0.182604D+02 -0.248545D+02  0.740405D+01  0.366602D+01
               201           202           203           204           205 
      1  -0.153804D+02 -0.815254D+01 -0.831193D+01 -0.251308D+01 -0.185052D+02
      2   0.751673D+01  0.657865D+01  0.794261D+01  0.294141D+01  0.882153D+01
      3   0.786363D+01  0.157389D+01  0.369328D+00 -0.428331D+00  0.968369D+01
      4   0.302147D+01  0.206064D+01 -0.300912D+01 -0.432381D-01  0.578515D+01
      5  -0.760177D+01 -0.262715D+00 -0.127585D+01 -0.435638D+01 -0.212831D+01
      6   0.725310D+01  0.233459D+01  0.197198D+01  0.508868D+01  0.376718D+01
               206           207           208           209           210 
      1  -0.527910D+01 -0.126833D+02  0.536078D+02 -0.238805D+02 -0.195183D+02
      2   0.537202D+01  0.625848D+01 -0.191134D+02  0.200806D+01  0.862690D+01
      3  -0.929203D-01  0.642485D+01 -0.344943D+02  0.218725D+02  0.108914D+02
      4  -0.560908D+01 -0.442335D+01 -0.472893D+02  0.389344D+02  0.172969D+02
      5  -0.728111D+01 -0.550777D+01 -0.263960D+02  0.131700D+02  0.203913D+02
      6   0.680902D+01  0.483639D+01  0.112084D+02 -0.710911D+01 -0.887398D+01
               211           212           213           214           215 
      1  -0.178903D+02  0.133848D+02  0.525288D+01 -0.270220D+02  0.107237D+02
      2   0.589356D+00  0.342428D+01  0.701155D+00  0.106769D+02  0.566434D+00
      3   0.173009D+02 -0.168090D+02 -0.595403D+01  0.163451D+02 -0.112901D+02
      4   0.318829D+02 -0.297667D+02 -0.123341D+02  0.272805D+02 -0.243683D+02
      5   0.108357D+02 -0.109030D+02 -0.112792D+02  0.237021D+02 -0.179272D+02
      6  -0.658996D+01  0.719600D+01  0.824645D+01 -0.101871D+02  0.107337D+02
               216           217           218           219           220 
      1   0.117941D+02 -0.418193D+02 -0.298338D+01 -0.206204D+02 -0.496276D+01
      2  -0.508317D+01  0.150670D+02  0.125938D+01  0.147281D+01  0.304259D+01
      3  -0.671096D+01  0.267523D+02  0.172400D+01  0.191476D+02  0.192018D+01
      4  -0.204419D+02 -0.724266D+01 -0.589454D+01  0.671259D+00  0.697640D+00
      5  -0.193490D+02  0.245364D+01  0.274279D+01 -0.112966D+02  0.128753D+01
      6   0.902563D+01  0.879438D+00  0.367527D+01 -0.154518D+01  0.138039D+01
               221           222           223           224           225 
      1  -0.426120D+01 -0.178649D+01 -0.216310D+02  0.197686D+00 -0.167223D+02
      2   0.368063D+01 -0.126161D+01  0.615171D+01 -0.126927D+01 -0.201270D+01
      3   0.580577D+00  0.304810D+01  0.154793D+02  0.107159D+01  0.187350D+02
      4   0.492440D+01 -0.239103D+01 -0.182362D+01 -0.340306D+01 -0.209462D+01
      5  -0.194885D+01 -0.536854D+01  0.185643D+01 -0.653500D+00 -0.129734D+02
      6  -0.723037D+00  0.303115D+01 -0.107010D+01  0.288549D+01 -0.120769D+01
               226           227           228           229           230 
      1   0.934085D+01  0.993166D+01 -0.581661D+01  0.164872D+02  0.251788D+01
      2  -0.340335D+01 -0.185024D+01  0.352362D+01 -0.343728D+01  0.210247D+02
      3  -0.593750D+01 -0.808142D+01  0.229300D+01 -0.130499D+02 -0.235426D+02
      4   0.128923D+02  0.170884D+02 -0.870876D+00  0.261315D+02  0.750785D+02
      5  -0.707678D+01 -0.182357D+01  0.588683D+01 -0.768069D+01 -0.102918D+02
      6  -0.161727D+01 -0.262083D+01  0.895473D+00 -0.548359D+01 -0.184132D+02
               231           232           233           234           235 
      1   0.536077D+00 -0.762217D+00  0.283833D+01 -0.518057D+00  0.653560D+02
      2   0.153686D+01  0.150770D+01  0.574636D+00  0.721237D+00 -0.440541D+02
      3  -0.207294D+01 -0.745486D+00 -0.341297D+01 -0.203180D+00 -0.213019D+02
      4  -0.852851D+01  0.199344D+01  0.500843D+01  0.502231D+01 -0.636868D+01
      5   0.124312D+02  0.444531D+01  0.490176D+01  0.352796D-01 -0.539994D+02
      6   0.776596D+01  0.848896D+00  0.558537D+01 -0.491842D+00  0.216604D+01
               236           237           238           239           240 
      1  -0.867451D+01 -0.340744D+02 -0.226304D+02  0.978187D+01  0.106101D+02
      2   0.643130D+01  0.275919D+02  0.155645D+02 -0.465779D+01 -0.104409D+02
      3   0.224321D+01  0.648248D+01  0.706586D+01 -0.512408D+01 -0.169182D+00
      4   0.145367D+02  0.292623D+01  0.139196D+02 -0.509001D+01 -0.753138D+01
      5   0.639192D+01  0.417166D+02  0.200293D+02 -0.942204D+01 -0.205828D+02
      6  -0.521055D+01 -0.898821D+00 -0.530860D+01  0.304130D+01  0.427352D+01
               241           242           243           244           245 
      1  -0.340367D+02  0.334534D+01  0.216184D+02  0.226217D+01 -0.684031D+01
      2   0.280270D+02 -0.421854D+01 -0.253499D+02 -0.609310D+00  0.329376D+01
      3   0.600975D+01  0.873205D+00  0.373145D+01 -0.165286D+01  0.354654D+01
      4   0.307196D+01 -0.659175D+01 -0.539786D+01 -0.108130D+02  0.883623D+01
      5   0.432274D+02 -0.763773D+01 -0.425838D+02  0.548682D+01 -0.452615D+01
      6  -0.148101D+01  0.413257D+01  0.152871D+01 -0.605546D+01  0.292960D+01
               246           247           248           249           250 
      1   0.729556D+00 -0.102001D+02 -0.526516D+01  0.490095D+01 -0.171693D+00
      2  -0.106483D+01  0.418038D+01  0.762805D+01 -0.105210D+01 -0.172564D+01
      3   0.335271D+00  0.601969D+01 -0.236289D+01 -0.384885D+01  0.189734D+01
      4  -0.409807D+01  0.128112D+02 -0.282113D+02  0.130562D+02 -0.519861D+01
      5   0.786605D+01 -0.664238D+01  0.132879D+02 -0.138245D+02  0.116079D+02
      6  -0.181970D+01  0.491853D+01 -0.159109D+02  0.102770D+02 -0.333196D+01
               251           252           253           254           255 
      1   0.220276D+01 -0.317633D+01 -0.285298D+02 -0.113123D+02 -0.441695D+02
      2   0.942149D+00 -0.361286D+01  0.337935D+02  0.106481D+02  0.135742D+02
      3  -0.314491D+01  0.678918D+01 -0.526371D+01  0.664235D+00  0.305952D+02
      4   0.132675D+02 -0.968500D+01 -0.176779D+02  0.283731D+01 -0.127635D+02
      5  -0.930896D+01  0.151869D+02 -0.549221D+02 -0.855668D+01 -0.144232D+02
      6   0.106090D+02 -0.799218D+01 -0.113121D+02  0.137209D+01  0.983282D-01
               256           257           258           259           260 
      1  -0.152979D+01  0.338942D+01 -0.138272D+02 -0.372172D+02 -0.123852D+02
      2   0.350136D+01 -0.196176D+02  0.965448D+01  0.101816D+02  0.145992D+02
      3  -0.197157D+01  0.162282D+02  0.417268D+01  0.270357D+02 -0.221397D+01
      4   0.113484D+02 -0.813713D+01  0.171169D+02 -0.612811D+01  0.165992D+02
      5   0.135060D+01  0.210481D+02  0.849638D+01 -0.294753D+01  0.283992D+01
      6   0.947840D+01  0.321848D+01  0.164689D+02  0.555769D+01  0.124760D+02
               261           262           263           264           265 
      1   0.109243D+02  0.390550D+02 -0.999348D+01 -0.241763D+02  0.463776D+01
      2   0.472330D+01 -0.253204D+02  0.563096D+01  0.176552D+02 -0.562673D+01
      3  -0.156476D+02 -0.137345D+02  0.436252D+01  0.652114D+01  0.988971D+00
      4   0.812415D+01 -0.183212D+02  0.125988D+02  0.115620D+02  0.546700D+01
      5   0.216057D+01 -0.352181D+02  0.101560D+02  0.308435D+02 -0.523071D+01
      6   0.307929D+01  0.634032D+01 -0.327160D+01 -0.562322D+01 -0.198133D+01
               266           267           268           269           270 
      1   0.156617D+01 -0.443676D+01 -0.310816D+02  0.757600D+01  0.221965D+02
      2  -0.136958D+00  0.530934D+01  0.247385D+02 -0.527422D+01 -0.246221D+02
      3  -0.142921D+01 -0.872581D+00  0.634307D+01 -0.230178D+01  0.242559D+01
      4  -0.631038D+01 -0.410964D+01  0.173668D+02 -0.153630D+02 -0.173493D+02
      5  -0.415313D+01  0.466822D+01  0.440233D+02 -0.151953D+02 -0.507589D+02
      6   0.219816D+01  0.292232D+01 -0.772869D+01  0.633614D+01  0.103708D+02
               271           272           273           274           275 
      1   0.799842D+00  0.716431D+01  0.385100D+01  0.820732D+01 -0.170741D+02
      2   0.105528D+01 -0.663246D+01 -0.574349D-01 -0.488458D+01  0.346174D+02
      3  -0.185512D+01 -0.531849D+00 -0.379356D+01 -0.332274D+01 -0.175432D+02
      4   0.361951D+01  0.199370D+00  0.779122D+00  0.653038D+01  0.289058D+02
      5   0.249939D+01  0.251337D+01  0.991737D+00  0.565374D+01 -0.485492D+01
      6   0.145889D+01 -0.211796D+01 -0.140878D+01  0.796540D+00  0.143731D+02
               276           277           278           279           280 
      1  -0.618564D+00 -0.188194D+01  0.514083D+01 -0.216060D+01  0.649934D+02
      2  -0.656683D+01  0.230947D+01 -0.107345D+02  0.414998D+01 -0.462665D+02
      3   0.718539D+01 -0.427536D+00  0.559368D+01 -0.198938D+01 -0.187269D+02
      4  -0.176062D+01 -0.199990D+01 -0.106239D+02  0.717783D+00  0.271169D+02
      5   0.876737D+01 -0.155453D+01  0.207377D+01 -0.740661D+01  0.632618D+02
      6   0.417996D+01 -0.144879D+01 -0.222529D+01 -0.284026D+01  0.122784D+02
               281           282           283           284           285 
      1   0.674925D+01  0.218021D+02  0.102079D+01  0.464511D+01  0.143623D+01
      2  -0.354331D+01 -0.230461D+02  0.106509D+01 -0.456337D+00 -0.196386D+00
      3  -0.320594D+01  0.124400D+01 -0.208588D+01 -0.418878D+01 -0.123984D+01
      4   0.157921D+02  0.137013D+02  0.116470D+02  0.621443D+01  0.459413D+01
      5   0.123509D+02  0.402123D+02  0.286001D+01  0.573960D+01  0.977241D+00
      6   0.923341D+01  0.970081D+01  0.615339D+01  0.302635D+01  0.375368D+01
               286           287           288           289           290 
      1   0.170942D+02  0.193643D+01  0.724059D+01 -0.138800D+02  0.529511D+01
      2  -0.179487D+02 -0.263096D+01 -0.155134D+02 -0.158138D+01 -0.293258D+01
      3   0.854445D+00  0.694534D+00  0.827276D+01  0.154614D+02 -0.236253D+01
      4   0.982243D+01  0.487278D+01  0.639211D+01 -0.305670D+01 -0.291902D+01
      5   0.320936D+02  0.616746D+01  0.268483D+02  0.546339D+00 -0.126209D+01
      6   0.649324D+01  0.439838D+01  0.693242D+01  0.326463D+01 -0.602897D+01
               291           292           293           294           295 
      1   0.266345D+02 -0.160579D+01 -0.551377D+01  0.250884D+01  0.181827D+02
      2   0.265410D+01  0.203231D+00  0.253095D+01  0.219848D+01 -0.171016D+01
      3  -0.292886D+02  0.140256D+01  0.298281D+01 -0.470731D+01 -0.164725D+02
      4   0.255158D+01 -0.664444D+00 -0.237988D+00  0.387016D+00  0.480130D+01
      5  -0.389668D+01 -0.866393D+00 -0.157841D+01 -0.395323D+01  0.533044D+01
      6  -0.756015D+01 -0.298747D+01  0.580558D+00  0.455005D+01 -0.274288D+01
               296           297 
      1  -0.391057D+01 -0.346219D+02
      2   0.321848D+00 -0.121245D+02
      3   0.358872D+01  0.467463D+02
      4   0.215757D+01 -0.196055D+01
      5   0.232377D+01  0.170810D+02
      6   0.710850D+01  0.116733D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x         -0.450098D+00     -0.114403D+01     -0.381609D+01
   y         -0.500508D+00     -0.127216D+01     -0.424348D+01
   z          0.146421D+00      0.372165D+00      0.124141D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.200171D+03      0.296622D+02      0.330037D+02
   yx         0.559380D+01      0.828915D+00      0.922293D+00
   yy         0.144713D+03      0.214442D+02      0.238599D+02
   zx         0.708171D+01      0.104940D+01      0.116762D+01
   zy        -0.833210D+01     -0.123469D+01     -0.137378D+01
   zz         0.130555D+03      0.193463D+02      0.215257D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.173392D+03      0.256941D+02      0.285886D+02
   aniso      0.737124D+02      0.109231D+02      0.121535D+02
   xx         0.219538D+03      0.325322D+02      0.361970D+02
   yx         0.587940D+01      0.871237D+00      0.969381D+00
   yy         0.157783D+03      0.233810D+02      0.260148D+02
   zx         0.728716D+01      0.107985D+01      0.120149D+01
   zy        -0.840975D+01     -0.124620D+01     -0.138658D+01
   zz         0.142856D+03      0.211691D+02      0.235538D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.56020495         -0.08751731         -0.43312935
     6         -2.33456434         -0.21033613          2.19206974
     6         -0.46529858         -0.30452154         -1.99364444
     6          1.93626738         -0.66447071         -0.97198986
     6          2.17193891         -0.82340903          1.64158988
     6          0.06988398         -0.59650242          3.19661397
     6         -4.60442520          0.09901188          3.88033753
     6         -5.18909199          2.85112759          4.67842099
     6         -5.84057765          4.53180352          2.42251151
     6         -3.06139518          4.01200298          6.24793572
     6          4.24908743         -0.85373927         -2.66465964
     6          3.88190916         -3.02729133         -4.49662185
     8          3.03565785         -2.86308256         -6.60185448
     8          4.57357438         -5.26144119         -3.46633066
     1         -4.40985207          0.17209048         -1.26993407
     1         -0.70079862         -0.22179664         -4.02439720
     1          4.01722326         -1.13624541          2.47120205
     1          0.30215328         -0.73432517          5.22540443
     1         -4.33460030         -1.02514809          5.59200429
     1         -6.26930349         -0.66251348          2.92399482
     1         -6.86880239          2.73619165          5.88316847
     1         -7.39671904          3.74432295          1.31846573
     1         -4.22007614          4.75091680          1.16494084
     1         -6.40288546          6.41294903          3.05627939
     1         -1.33795859          4.21260091          5.13205527
     1         -2.61761014          2.85009163          7.89538121
     1         -3.59546318          5.88746097          6.92170756
     1          5.85959699         -1.33286771         -1.47095916
     6          4.77744333          1.61103491         -4.08015094
     1          4.19204233         -6.56161297         -4.70148150
     1          3.21839007          2.07611468         -5.33919721
     1          6.48918729          1.45617621         -5.21831910
     1          5.01580310          3.14861423         -2.73052678

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.688865D+00      0.175092D+01      0.584044D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.169371D+03      0.250982D+02      0.279255D+02
   yx        -0.170667D+02     -0.252902D+01     -0.281391D+01
   yy         0.132401D+03      0.196199D+02      0.218300D+02
   zx        -0.240454D+02     -0.356316D+01     -0.396455D+01
   zy         0.109752D+02      0.162636D+01      0.180957D+01
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.173392D+03      0.256941D+02      0.285886D+02
   aniso      0.737124D+02      0.109231D+02      0.121535D+02
   xx         0.184825D+03      0.273882D+02      0.304735D+02
   yx        -0.188434D+02     -0.279230D+01     -0.310685D+01
   yy         0.145724D+03      0.215940D+02      0.240266D+02
   zx        -0.268958D+02     -0.398555D+01     -0.443452D+01
   zy         0.123605D+02      0.183164D+01      0.203797D+01
   zz         0.189629D+03      0.281001D+02      0.312655D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F07-05\Freq\RLC-PBEPBE\Gen\C13H18O2\PIERPA\13-Sep-2021\0\
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 YOU ARE IN A MAZE OF TWISTY LITTLE PASSAGES.
 Job cpu time:       1 days 21 hours 54 minutes 36.6 seconds.
 Elapsed time:       0 days  5 hours 44 minutes 24.2 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 13 17:22:42 2021.
